N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide

C12H19N5O — CID 56742391

IUPACN-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N[C@@H]2CC[C@@H](N)C2)cn1
InChIInChI=1S/C12H19N5O/c1-2-14-12-15-6-8(7-16-12)11(18)17-10-4-3-9(13)5-10/h6-7,9-10H,2-5,13H2,1H3,(H,17,18)(H,14,15,16)/t9-,10-/m1/s1
InChIKeyXZJFPSVNAKDFEI-NXEZZACHSA-N
MW249.32 g/mol
LogP0.52
Rot. Bonds4

About N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide

N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide (PubChem CID 56742391) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide
PubChem CID56742391
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N[C@@H]2CC[C@@H](N)C2)cn1
InChIInChI=1S/C12H19N5O/c1-2-14-12-15-6-8(7-16-12)11(18)17-10-4-3-9(13)5-10/h6-7,9-10H,2-5,13H2,1H3,(H,17,18)(H,14,15,16)/t9-,10-/m1/s1
InChIKeyXZJFPSVNAKDFEI-NXEZZACHSA-N
XLogP0.52
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide (CID 56742391) is N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)N[C@@H]2CC[C@@H](N)C2)cn1.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide?
The InChIKey is XZJFPSVNAKDFEI-NXEZZACHSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-14-12-15-6-8(7-16-12)11(18)17-10-4-3-9(13)5-10/h6-7,9-10H,2-5,13H2,1H3,(H,17,18)(H,14,15,16)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide?
N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-2-(ethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 56742391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).