5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine

C13H24N4 — CID 83185816

IUPAC5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCc1nc(N(CC(C)C)C(C)C)ncc1CN
InChIInChI=1S/C13H24N4/c1-9(2)8-17(10(3)4)13-15-7-12(6-14)11(5)16-13/h7,9-10H,6,8,14H2,1-5H3
InChIKeyMCKZVFBCUQGXCI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.11
Rot. Bonds5

About 5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine

5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 83185816) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID83185816
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCc1nc(N(CC(C)C)C(C)C)ncc1CN
InChIInChI=1S/C13H24N4/c1-9(2)8-17(10(3)4)13-15-7-12(6-14)11(5)16-13/h7,9-10H,6,8,14H2,1-5H3
InChIKeyMCKZVFBCUQGXCI-UHFFFAOYSA-N
XLogP2.11
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-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

5-(aminomethyl)-N,4-dimethyl-N-propan-2-ylpyrimidin-2-amine
CID 83185143
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 83185815
5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83185973
5-(aminomethyl)-N,4-dimethyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
CID 83186214
[2-[ethyl(propan-2-yl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184884
5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 83189626
[4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol
CID 83185065
N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol
CID 83184457
5-(aminomethyl)-N,N-bis(cyclopropylmethyl)-4-methylpyrimidin-2-amine
CID 83186265
5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
CID 83186254
5-(chloromethyl)-N-(2-methoxyethyl)-4-methyl-N-propan-2-ylpyrimidin-2-amine
CID 83183892

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine (CID 83185816) is 5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine is Cc1nc(N(CC(C)C)C(C)C)ncc1CN.
What is the InChIKey of 5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is MCKZVFBCUQGXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(2)8-17(10(3)4)13-15-7-12(6-14)11(5)16-13/h7,9-10H,6,8,14H2,1-5H3.
What are the key properties of 5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine?
5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 83185816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).