N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine

C16H24N6 — CID 164880157

IUPACN-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine
SMILESCC(C)(C)n1nc(Nc2ncccn2)cc1[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C16H24N6/c1-16(2,3)22-13(11-5-6-12(17)9-11)10-14(21-22)20-15-18-7-4-8-19-15/h4,7-8,10-12H,5-6,9,17H2,1-3H3,(H,18,19,20,21)/t11-,12+/m0/s1
InChIKeyWLZPFUDBYZNTDV-NWDGAFQWSA-N
MW300.41 g/mol
LogP2.77
Rot. Bonds3

About N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine

N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine (PubChem CID 164880157) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine
PubChem CID164880157
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC NameN-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine
SMILESCC(C)(C)n1nc(Nc2ncccn2)cc1[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C16H24N6/c1-16(2,3)22-13(11-5-6-12(17)9-11)10-14(21-22)20-15-18-7-4-8-19-15/h4,7-8,10-12H,5-6,9,17H2,1-3H3,(H,18,19,20,21)/t11-,12+/m0/s1
InChIKeyWLZPFUDBYZNTDV-NWDGAFQWSA-N
XLogP2.77
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine (CID 164880157) is N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine is CC(C)(C)n1nc(Nc2ncccn2)cc1[C@H]1CC[C@@H](N)C1.
What is the InChIKey of N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is WLZPFUDBYZNTDV-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H24N6/c1-16(2,3)22-13(11-5-6-12(17)9-11)10-14(21-22)20-15-18-7-4-8-19-15/h4,7-8,10-12H,5-6,9,17H2,1-3H3,(H,18,19,20,21)/t11-,12+/m0/s1.
What are the key properties of N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine?
N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S,3R)-3-aminocyclopentyl]-1-tert-butylpyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 164880157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).