6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine

C14H24N4 — CID 133417435

IUPAC6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(NC[C@@H]2CCCN2CC(C)C)ncn1
InChIInChI=1S/C14H24N4/c1-11(2)9-18-6-4-5-13(18)8-15-14-7-12(3)16-10-17-14/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,15,16,17)/t13-/m0/s1
InChIKeyLPTWUKXKEDFWOU-ZDUSSCGKSA-N
MW248.37 g/mol
LogP2.32
Rot. Bonds5

About 6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine

6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 133417435) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
PubChem CID133417435
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(NC[C@@H]2CCCN2CC(C)C)ncn1
InChIInChI=1S/C14H24N4/c1-11(2)9-18-6-4-5-13(18)8-15-14-7-12(3)16-10-17-14/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,15,16,17)/t13-/m0/s1
InChIKeyLPTWUKXKEDFWOU-ZDUSSCGKSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 133417448
2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 133417422
6-(3,5-dimethylphenyl)-4-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidine-2,4-diamine
CID 174852415
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66325160
6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937891
3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine
CID 133417515
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]cyclopentanamine
CID 103852150
6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225495
6-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine
CID 61227101
6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612498
6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide
CID 133417486

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine (CID 133417435) is 6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine is Cc1cc(NC[C@@H]2CCCN2CC(C)C)ncn1.
What is the InChIKey of 6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is LPTWUKXKEDFWOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)9-18-6-4-5-13(18)8-15-14-7-12(3)16-10-17-14/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,15,16,17)/t13-/m0/s1.
What are the key properties of 6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133417435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).