2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine

C15H21N5 — CID 125005686

IUPAC2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine
SMILESCc1nc(-c2ccn[nH]2)cc([C@H]2CCN(C(C)C)C2)n1
InChIInChI=1S/C15H21N5/c1-10(2)20-7-5-12(9-20)14-8-15(18-11(3)17-14)13-4-6-16-19-13/h4,6,8,10,12H,5,7,9H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyUBAMZKGEBDLEGA-LBPRGKRZSA-N
MW271.37 g/mol
LogP2.37
Rot. Bonds3

About 2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine

2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine (PubChem CID 125005686) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine
PubChem CID125005686
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine
SMILESCc1nc(-c2ccn[nH]2)cc([C@H]2CCN(C(C)C)C2)n1
InChIInChI=1S/C15H21N5/c1-10(2)20-7-5-12(9-20)14-8-15(18-11(3)17-14)13-4-6-16-19-13/h4,6,8,10,12H,5,7,9H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyUBAMZKGEBDLEGA-LBPRGKRZSA-N
XLogP2.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine?
The IUPAC name of 2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine (CID 125005686) is 2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine is Cc1nc(-c2ccn[nH]2)cc([C@H]2CCN(C(C)C)C2)n1.
What is the InChIKey of 2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine?
The InChIKey is UBAMZKGEBDLEGA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5/c1-10(2)20-7-5-12(9-20)14-8-15(18-11(3)17-14)13-4-6-16-19-13/h4,6,8,10,12H,5,7,9H2,1-3H3,(H,16,19)/t12-/m0/s1.
What are the key properties of 2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine?
2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine is sourced from PubChem (CID 125005686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).