[2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate

C18H19N9O3 — CID 130443150

IUPAC[2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate
SMILESCNC(=O)c1c(NC(=O)Oc2nc(C3CC3)ncc2Nc2cncnc2)cnn1C
InChIInChI=1S/C18H19N9O3/c1-19-16(28)14-12(8-23-27(14)2)25-18(29)30-17-13(24-11-5-20-9-21-6-11)7-22-15(26-17)10-3-4-10/h5-10,24H,3-4H2,1-2H3,(H,19,28)(H,25,29)
InChIKeyVMBMLDLZTHBJSR-UHFFFAOYSA-N
MW409.41 g/mol
LogP1.59
Rot. Bonds6

About [2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate

[2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate (PubChem CID 130443150) has the molecular formula C18H19N9O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is [2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Name[2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate
PubChem CID130443150
Molecular FormulaC18H19N9O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name[2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate
SMILESCNC(=O)c1c(NC(=O)Oc2nc(C3CC3)ncc2Nc2cncnc2)cnn1C
InChIInChI=1S/C18H19N9O3/c1-19-16(28)14-12(8-23-27(14)2)25-18(29)30-17-13(24-11-5-20-9-21-6-11)7-22-15(26-17)10-3-4-10/h5-10,24H,3-4H2,1-2H3,(H,19,28)(H,25,29)
InChIKeyVMBMLDLZTHBJSR-UHFFFAOYSA-N
XLogP1.59
TPSA148.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[5-[(2-methoxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]carbamate
CID 130443099
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]carbamate
CID 130443112
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-methyl-5-[methyl(propan-2-yl)carbamoyl]pyrazol-4-yl]carbamate
CID 130442946
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-methyl-5-[methyl(oxetan-3-yl)carbamoyl]pyrazol-4-yl]carbamate
CID 130443179
N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 54761816
[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate
CID 130443173
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate
CID 130442937
[2-(2-methoxyethylamino)-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]carbamate
CID 130443063
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]carbamate
CID 130443133
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate
CID 130443160
4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide
CID 70650578
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443187

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate?
The IUPAC name of [2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate (CID 130443150) is [2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for [2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate?
The canonical SMILES for [2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate is CNC(=O)c1c(NC(=O)Oc2nc(C3CC3)ncc2Nc2cncnc2)cnn1C.
What is the InChIKey of [2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate?
The InChIKey is VMBMLDLZTHBJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O3/c1-19-16(28)14-12(8-23-27(14)2)25-18(29)30-17-13(24-11-5-20-9-21-6-11)7-22-15(26-17)10-3-4-10/h5-10,24H,3-4H2,1-2H3,(H,19,28)(H,25,29).
What are the key properties of [2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate?
[2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate has a molecular weight of 409.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 130443150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).