2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine

C13H23N5 — CID 72914778

IUPAC2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCCCN2CCCC2)n1
InChIInChI=1S/C13H23N5/c1-11-16-12(14)10-13(17-11)15-6-2-3-7-18-8-4-5-9-18/h10H,2-9H2,1H3,(H3,14,15,16,17)
InChIKeyRQMZWBGOTKLZEI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.66
Rot. Bonds6

About 2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine

2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine (PubChem CID 72914778) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
PubChem CID72914778
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCCCN2CCCC2)n1
InChIInChI=1S/C13H23N5/c1-11-16-12(14)10-13(17-11)15-6-2-3-7-18-8-4-5-9-18/h10H,2-9H2,1H3,(H3,14,15,16,17)
InChIKeyRQMZWBGOTKLZEI-UHFFFAOYSA-N
XLogP1.66
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 114174035
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66327743
6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
CID 82060939
6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718410
2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 119070768
2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine
CID 11043367
2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82460544
6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80646711
5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine
CID 82057653
2-methyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136956622
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine (CID 72914778) is 2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine is Cc1nc(N)cc(NCCCCN2CCCC2)n1.
What is the InChIKey of 2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine?
The InChIKey is RQMZWBGOTKLZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11-16-12(14)10-13(17-11)15-6-2-3-7-18-8-4-5-9-18/h10H,2-9H2,1H3,(H3,14,15,16,17).
What are the key properties of 2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine?
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 72914778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).