6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C20H21N9O3 — CID 123768844

IUPAC6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(CCO)C(=O)c1ncncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H21N9O3/c1-29(4-5-30)20(32)16-15(8-23-11-25-16)28-19(31)17-18(26-13-6-21-10-22-7-13)24-9-14(27-17)12-2-3-12/h6-12,30H,2-5H2,1H3,(H,24,26)(H,28,31)
InChIKeyVSVULLZRJHYWMY-UHFFFAOYSA-N
MW435.45 g/mol
LogP0.99
Rot. Bonds8

About 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 123768844) has the molecular formula C20H21N9O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID123768844
Molecular FormulaC20H21N9O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(CCO)C(=O)c1ncncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H21N9O3/c1-29(4-5-30)20(32)16-15(8-23-11-25-16)28-19(31)17-18(26-13-6-21-10-22-7-13)24-9-14(27-17)12-2-3-12/h6-12,30H,2-5H2,1H3,(H,24,26)(H,28,31)
InChIKeyVSVULLZRJHYWMY-UHFFFAOYSA-N
XLogP0.99
TPSA159.01 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 123768844) is 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN(CCO)C(=O)c1ncncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is VSVULLZRJHYWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O3/c1-29(4-5-30)20(32)16-15(8-23-11-25-16)28-19(31)17-18(26-13-6-21-10-22-7-13)24-9-14(27-17)12-2-3-12/h6-12,30H,2-5H2,1H3,(H,24,26)(H,28,31).
What are the key properties of 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 435.45 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 123768844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).