N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

C13H22N4 — CID 116977565

IUPACN-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCC(C)c1cnc(N(C)CC2CCCN2)nc1
InChIInChI=1S/C13H22N4/c1-10(2)11-7-15-13(16-8-11)17(3)9-12-5-4-6-14-12/h7-8,10,12,14H,4-6,9H2,1-3H3
InChIKeyVYQYPTZGGVTZOY-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.79
Rot. Bonds4

About N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 116977565) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
PubChem CID116977565
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCC(C)c1cnc(N(C)CC2CCCN2)nc1
InChIInChI=1S/C13H22N4/c1-10(2)11-7-15-13(16-8-11)17(3)9-12-5-4-6-14-12/h7-8,10,12,14H,4-6,9H2,1-3H3
InChIKeyVYQYPTZGGVTZOY-UHFFFAOYSA-N
XLogP1.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106618723
5-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641981
N-methyl-N-(2-piperidin-2-ylethyl)-5-propan-2-ylpyrimidin-2-amine
CID 116978121
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602551
(1S)-N-methyl-1-pyrazin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 129426014
N-methyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylpyrimidin-2-amine
CID 116978150
5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine
CID 97164291
5-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 71641969
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602398

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (CID 116977565) is N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is CC(C)c1cnc(N(C)CC2CCCN2)nc1.
What is the InChIKey of N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is VYQYPTZGGVTZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)11-7-15-13(16-8-11)17(3)9-12-5-4-6-14-12/h7-8,10,12,14H,4-6,9H2,1-3H3.
What are the key properties of N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 116977565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).