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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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).