N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine

C14H25N5 — CID 61253596

IUPACN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
SMILESCC(C)C(CNc1ccncn1)N1CCN(C)CC1
InChIInChI=1S/C14H25N5/c1-12(2)13(19-8-6-18(3)7-9-19)10-16-14-4-5-15-11-17-14/h4-5,11-13H,6-10H2,1-3H3,(H,15,16,17)
InChIKeyNXUWMJVVRQDIRC-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.16
Rot. Bonds5

About N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine

N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine (PubChem CID 61253596) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
PubChem CID61253596
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
SMILESCC(C)C(CNc1ccncn1)N1CCN(C)CC1
InChIInChI=1S/C14H25N5/c1-12(2)13(19-8-6-18(3)7-9-19)10-16-14-4-5-15-11-17-14/h4-5,11-13H,6-10H2,1-3H3,(H,15,16,17)
InChIKeyNXUWMJVVRQDIRC-UHFFFAOYSA-N
XLogP1.16
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-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-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-4-amine
CID 61241411
N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
CID 97120157
5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-2-amine
CID 61241218
2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine
CID 80653824
6-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine
CID 61241021
N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102914055
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 62994036
3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine
CID 65416239
4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine
CID 60732106
1-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(pyridin-4-ylmethyl)urea
CID 56813976
1-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(pyridin-4-ylmethyl)urea
CID 95570484
N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 97320246

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine?
The IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine (CID 61253596) is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine is CC(C)C(CNc1ccncn1)N1CCN(C)CC1.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine?
The InChIKey is NXUWMJVVRQDIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-12(2)13(19-8-6-18(3)7-9-19)10-16-14-4-5-15-11-17-14/h4-5,11-13H,6-10H2,1-3H3,(H,15,16,17).
What are the key properties of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine?
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine is sourced from PubChem (CID 61253596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).