N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide

C15H18N4O — CID 10107174

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cccn2cn1
InChIInChI=1S/C15H18N4O/c20-15(14-7-13-2-1-4-19(13)10-16-14)17-12-6-11-3-5-18(8-11)9-12/h1-2,4,7,10-12H,3,5-6,8-9H2,(H,17,20)/t11-,12-/m1/s1
InChIKeyLOUHUQZIYXEXCY-VXGBXAGGSA-N
MW270.34 g/mol
LogP1.16
Rot. Bonds2

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide (PubChem CID 10107174) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
PubChem CID10107174
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cccn2cn1
InChIInChI=1S/C15H18N4O/c20-15(14-7-13-2-1-4-19(13)10-16-14)17-12-6-11-3-5-18(8-11)9-12/h1-2,4,7,10-12H,3,5-6,8-9H2,(H,17,20)/t11-,12-/m1/s1
InChIKeyLOUHUQZIYXEXCY-VXGBXAGGSA-N
XLogP1.16
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-(2-aminopyrimidin-4-yl)-6-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11311779
2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11483024
2-{2-[(2-methylpropyl)amino]pyrimidin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11483025
2-(2-aminopyrimidin-4-yl)-1-methyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585146
2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585147
2-(2-aminopyrimidin-4-yl)-1-ethyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585148
2-(2-aminopyrimidin-4-yl)-1-(4,4,4-trifluorobutyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585149
2-(2-aminopyrimidin-4-yl)-1-propyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585151
2-(2-aminopyrimidin-4-yl)-1-butyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585152
2-(2-aminopyrimidin-4-yl)-1-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585193
2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585198
2-(2-aminopyrimidin-4-yl)-1-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585200

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide (CID 10107174) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cccn2cn1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
The InChIKey is LOUHUQZIYXEXCY-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(14-7-13-2-1-4-19(13)10-16-14)17-12-6-11-3-5-18(8-11)9-12/h1-2,4,7,10-12H,3,5-6,8-9H2,(H,17,20)/t11-,12-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide is sourced from PubChem (CID 10107174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).