N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine

C15H28N4 — CID 83185277

IUPACN,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(C)CCC(C)C)nc1C
InChIInChI=1S/C15H28N4/c1-6-8-16-10-14-11-17-15(18-13(14)4)19(5)9-7-12(2)3/h11-12,16H,6-10H2,1-5H3
InChIKeyQNBPYZULIQFMLP-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.77
Rot. Bonds8

About N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine

N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine (PubChem CID 83185277) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
PubChem CID83185277
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(C)CCC(C)C)nc1C
InChIInChI=1S/C15H28N4/c1-6-8-16-10-14-11-17-15(18-13(14)4)19(5)9-7-12(2)3/h11-12,16H,6-10H2,1-5H3
InChIKeyQNBPYZULIQFMLP-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-dimethyl-N-(2-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185424
N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 83185920
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 112665398
N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83180589
4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83188945
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 83186354
N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186228
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83178527
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 83185815
N,4-dimethyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83189478

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine (CID 83185277) is N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine is CCCNCc1cnc(N(C)CCC(C)C)nc1C.
What is the InChIKey of N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine?
The InChIKey is QNBPYZULIQFMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-8-16-10-14-11-17-15(18-13(14)4)19(5)9-7-12(2)3/h11-12,16H,6-10H2,1-5H3.
What are the key properties of N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine?
N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine has a molecular weight of 264.42 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine is sourced from PubChem (CID 83185277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).