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

C20H21N9O2 — CID 58548210

IUPAC6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCN(C)C(=O)c1ncncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H21N9O2/c1-3-29(2)20(31)16-15(8-23-11-25-16)28-19(30)17-18(26-13-6-21-10-22-7-13)24-9-14(27-17)12-4-5-12/h6-12H,3-5H2,1-2H3,(H,24,26)(H,28,30)
InChIKeyBGDPBEFRZBFQHR-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.02
Rot. Bonds7

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

6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548210) has the molecular formula C20H21N9O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548210
Molecular FormulaC20H21N9O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCN(C)C(=O)c1ncncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H21N9O2/c1-3-29(2)20(31)16-15(8-23-11-25-16)28-19(30)17-18(26-13-6-21-10-22-7-13)24-9-14(27-17)12-4-5-12/h6-12H,3-5H2,1-2H3,(H,24,26)(H,28,30)
InChIKeyBGDPBEFRZBFQHR-UHFFFAOYSA-N
XLogP2.02
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548210) is 6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CCN(C)C(=O)c1ncncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is BGDPBEFRZBFQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O2/c1-3-29(2)20(31)16-15(8-23-11-25-16)28-19(30)17-18(26-13-6-21-10-22-7-13)24-9-14(27-17)12-4-5-12/h6-12H,3-5H2,1-2H3,(H,24,26)(H,28,30).
What are the key properties of 6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[ethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).