N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C19H22N6O — CID 165415438

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C19H22N6O/c26-19(25-15-6-11-1-2-13(15)5-11)17-18(23-14-7-20-10-21-8-14)22-9-16(24-17)12-3-4-12/h7-13,15H,1-6H2,(H,22,23)(H,25,26)/t11-,13+,15+/m0/s1
InChIKeyAVMDIVITJQCFBA-NJZAAPMLSA-N
MW350.43 g/mol
LogP2.81
Rot. Bonds5

About N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415438) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415438
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C19H22N6O/c26-19(25-15-6-11-1-2-13(15)5-11)17-18(23-14-7-20-10-21-8-14)22-9-16(24-17)12-3-4-12/h7-13,15H,1-6H2,(H,22,23)(H,25,26)/t11-,13+,15+/m0/s1
InChIKeyAVMDIVITJQCFBA-NJZAAPMLSA-N
XLogP2.81
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415438) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is AVMDIVITJQCFBA-NJZAAPMLSA-N. The full InChI is InChI=1S/C19H22N6O/c26-19(25-15-6-11-1-2-13(15)5-11)17-18(23-14-7-20-10-21-8-14)22-9-16(24-17)12-3-4-12/h7-13,15H,1-6H2,(H,22,23)(H,25,26)/t11-,13+,15+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).