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

C19H19N9O2 — CID 58548293

IUPAC6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(C)ncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C19H19N9O2/c1-10-23-8-14(15(25-10)18(29)20-2)28-19(30)16-17(26-12-5-21-9-22-6-12)24-7-13(27-16)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,20,29)(H,24,26)(H,28,30)
InChIKeyYXAUKNSOEDRFAK-UHFFFAOYSA-N
MW405.42 g/mol
LogP1.60
Rot. Bonds6

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

6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548293) has the molecular formula C19H19N9O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548293
Molecular FormulaC19H19N9O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC Name6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(C)ncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C19H19N9O2/c1-10-23-8-14(15(25-10)18(29)20-2)28-19(30)16-17(26-12-5-21-9-22-6-12)24-7-13(27-16)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,20,29)(H,24,26)(H,28,30)
InChIKeyYXAUKNSOEDRFAK-UHFFFAOYSA-N
XLogP1.60
TPSA147.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548293) is 6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1nc(C)ncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is YXAUKNSOEDRFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O2/c1-10-23-8-14(15(25-10)18(29)20-2)28-19(30)16-17(26-12-5-21-9-22-6-12)24-7-13(27-16)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,20,29)(H,24,26)(H,28,30).
What are the key properties of 6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-methyl-4-(methylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).