1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea

C16H21N5O — CID 21404726

IUPAC1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
SMILESCCN(C)C(=O)N(c1ccnc(-c2ccncc2)n1)C(C)C
InChIInChI=1S/C16H21N5O/c1-5-20(4)16(22)21(12(2)3)14-8-11-18-15(19-14)13-6-9-17-10-7-13/h6-12H,5H2,1-4H3
InChIKeySQINWOOEPDWUNX-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.83
Rot. Bonds4

About 1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea

1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea (PubChem CID 21404726) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
PubChem CID21404726
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
SMILESCCN(C)C(=O)N(c1ccnc(-c2ccncc2)n1)C(C)C
InChIInChI=1S/C16H21N5O/c1-5-20(4)16(22)21(12(2)3)14-8-11-18-15(19-14)13-6-9-17-10-7-13/h6-12H,5H2,1-4H3
InChIKeySQINWOOEPDWUNX-UHFFFAOYSA-N
XLogP2.83
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Amprolium Hydrochloride
CID 8732
Propiram
CID 26216
Amprolium
CID 73341
Amprolium ion
CID 2178
8-Cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330261
6-Bromo-8-cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330282
Pyrido-[2,3-d]-pyrimidin-7-one 42
CID 5330285
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571
CXCR4 antagonist 6
CID 138501464
s-Triazine, 2-amino-4-piperidino-6-(3-pyridyl)-
CID 207459
2-(Pyridin-3-yl)pyrimidine
CID 13349629
6-Bromo-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330283

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea (CID 21404726) is 1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea is CCN(C)C(=O)N(c1ccnc(-c2ccncc2)n1)C(C)C.
What is the InChIKey of 1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea?
The InChIKey is SQINWOOEPDWUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-5-20(4)16(22)21(12(2)3)14-8-11-18-15(19-14)13-6-9-17-10-7-13/h6-12H,5H2,1-4H3.
What are the key properties of 1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea?
1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea has a molecular weight of 299.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea is sourced from PubChem (CID 21404726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).