4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride

C11H15ClN6 — CID 153314143

IUPAC4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride
SMILESCl.c1cc(-c2cn[nH]c2)nc(N[C@@H]2CCNC2)n1
InChIInChI=1S/C11H14N6.ClH/c1-3-12-7-9(1)16-11-13-4-2-10(17-11)8-5-14-15-6-8;/h2,4-6,9,12H,1,3,7H2,(H,14,15)(H,13,16,17);1H/t9-;/m1./s1
InChIKeyFYTQXHATISMDMS-SBSPUUFOSA-N
MW266.74 g/mol
LogP1.06
Rot. Bonds3

About 4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride

4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride (PubChem CID 153314143) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride
PubChem CID153314143
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride
SMILESCl.c1cc(-c2cn[nH]c2)nc(N[C@@H]2CCNC2)n1
InChIInChI=1S/C11H14N6.ClH/c1-3-12-7-9(1)16-11-13-4-2-10(17-11)8-5-14-15-6-8;/h2,4-6,9,12H,1,3,7H2,(H,14,15)(H,13,16,17);1H/t9-;/m1./s1
InChIKeyFYTQXHATISMDMS-SBSPUUFOSA-N
XLogP1.06
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride?
The IUPAC name of 4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride (CID 153314143) is 4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride is Cl.c1cc(-c2cn[nH]c2)nc(N[C@@H]2CCNC2)n1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride?
The InChIKey is FYTQXHATISMDMS-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H14N6.ClH/c1-3-12-7-9(1)16-11-13-4-2-10(17-11)8-5-14-15-6-8;/h2,4-6,9,12H,1,3,7H2,(H,14,15)(H,13,16,17);1H/t9-;/m1./s1.
What are the key properties of 4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride?
4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride has a molecular weight of 266.74 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 153314143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).