4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine

C16H30N4 — CID 62300682

IUPAC4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
SMILESCCCCN(CCCC)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C16H30N4/c1-5-7-9-20(10-8-6-2)15-12-18-16(13(3)4)19-14(15)11-17/h12-13H,5-11,17H2,1-4H3
InChIKeyNEUPETXHKIHIPG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.47
Rot. Bonds9

About 4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine

4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine (PubChem CID 62300682) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
PubChem CID62300682
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
SMILESCCCCN(CCCC)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C16H30N4/c1-5-7-9-20(10-8-6-2)15-12-18-16(13(3)4)19-14(15)11-17/h12-13H,5-11,17H2,1-4H3
InChIKeyNEUPETXHKIHIPG-UHFFFAOYSA-N
XLogP3.47
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-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

4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
CID 62299633
2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol
CID 62088140
4-(aminomethyl)-N-methyl-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine
CID 62285825
N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
CID 62286657
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-propan-2-ylpyrimidin-5-amine
CID 63938723
4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine
CID 79491452
4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 112754624
N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62286155
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine
CID 112665331
N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-propylpyrimidin-5-amine
CID 62278678
4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine
CID 62086546
3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 62298226

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine (CID 62300682) is 4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine is CCCCN(CCCC)c1cnc(C(C)C)nc1CN.
What is the InChIKey of 4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is NEUPETXHKIHIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-7-9-20(10-8-6-2)15-12-18-16(13(3)4)19-14(15)11-17/h12-13H,5-11,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine?
4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 278.44 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 62300682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).