2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine

C13H18N6 — CID 164629890

IUPAC2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine
SMILESCn1nccc1[C@@H]1CCCN1Cc1nccc(N)n1
InChIInChI=1S/C13H18N6/c1-18-10(4-7-16-18)11-3-2-8-19(11)9-13-15-6-5-12(14)17-13/h4-7,11H,2-3,8-9H2,1H3,(H2,14,15,17)/t11-/m0/s1
InChIKeyYEDCWLIEGNFSAT-NSHDSACASA-N
MW258.33 g/mol
LogP1.13
Rot. Bonds3

About 2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine

2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine (PubChem CID 164629890) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine
PubChem CID164629890
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine
SMILESCn1nccc1[C@@H]1CCCN1Cc1nccc(N)n1
InChIInChI=1S/C13H18N6/c1-18-10(4-7-16-18)11-3-2-8-19(11)9-13-15-6-5-12(14)17-13/h4-7,11H,2-3,8-9H2,1H3,(H2,14,15,17)/t11-/m0/s1
InChIKeyYEDCWLIEGNFSAT-NSHDSACASA-N
XLogP1.13
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191208
4-N-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191509
7-Amino-5-n-butylpyrazolo[1,5-a]pyrimidine
CID 19709702
5-Ethyl-N,2,3-trimethyl-N-(1H-pyrazol-3-ylmethyl)pyrazolo[1,5-A]pyrimidin-7-amine
CID 56913193
(1R*,3R*)-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3-cyclopentanediamine
CID 56915928
trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146558380
5-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 146558381
4-ethyl-6-(1H-pyrazol-3-yl)-2-(1-pyrrolidinyl)pyrimidine
CID 28230882
N~4~,6-dimethyl-N~4~-[3-(1H-pyrazol-1-yl)propyl]-2,4-pyrimidinediamine
CID 39782655
4-N,4-N,5-trimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 50951650
6-(1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 50964562

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine (CID 164629890) is 2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine is Cn1nccc1[C@@H]1CCCN1Cc1nccc(N)n1.
What is the InChIKey of 2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine?
The InChIKey is YEDCWLIEGNFSAT-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N6/c1-18-10(4-7-16-18)11-3-2-8-19(11)9-13-15-6-5-12(14)17-13/h4-7,11H,2-3,8-9H2,1H3,(H2,14,15,17)/t11-/m0/s1.
What are the key properties of 2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine?
2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine has a molecular weight of 258.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 164629890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).