N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine

C13H23N5 — CID 69150898

IUPACN-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCC[C@H](C)Nc1cc(N2CC[C@@H](NC)C2)ncn1
InChIInChI=1S/C13H23N5/c1-4-10(2)17-12-7-13(16-9-15-12)18-6-5-11(8-18)14-3/h7,9-11,14H,4-6,8H2,1-3H3,(H,15,16,17)/t10-,11+/m0/s1
InChIKeyOPVAEXIKLCNMMM-WDEREUQCSA-N
MW249.36 g/mol
LogP1.49
Rot. Bonds5

About N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine

N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 69150898) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID69150898
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCC[C@H](C)Nc1cc(N2CC[C@@H](NC)C2)ncn1
InChIInChI=1S/C13H23N5/c1-4-10(2)17-12-7-13(16-9-15-12)18-6-5-11(8-18)14-3/h7,9-11,14H,4-6,8H2,1-3H3,(H,15,16,17)/t10-,11+/m0/s1
InChIKeyOPVAEXIKLCNMMM-WDEREUQCSA-N
XLogP1.49
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine
CID 67156404
N-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine
CID 106973300
N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112855480
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
N-propan-2-yl-1-(6-propylpyrimidin-4-yl)pyrrolidin-3-amine
CID 141341274
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
N-butan-2-yl-6-(cyclopropylmethyl)pyrimidin-4-amine
CID 126848220
N-butan-2-yl-6-cyclobutylpyrimidin-4-amine
CID 126848123
1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 66569687
N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine
CID 71186595
(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 97245444
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
CID 80831792

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine (CID 69150898) is N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine is CC[C@H](C)Nc1cc(N2CC[C@@H](NC)C2)ncn1.
What is the InChIKey of N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is OPVAEXIKLCNMMM-WDEREUQCSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-10(2)17-12-7-13(16-9-15-12)18-6-5-11(8-18)14-3/h7,9-11,14H,4-6,8H2,1-3H3,(H,15,16,17)/t10-,11+/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine?
N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 69150898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).