5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine

C16H28N4 — CID 83189626

IUPAC5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCc1nc(N(CCC(C)C)C2CCCC2)ncc1CN
InChIInChI=1S/C16H28N4/c1-12(2)8-9-20(15-6-4-5-7-15)16-18-11-14(10-17)13(3)19-16/h11-12,15H,4-10,17H2,1-3H3
InChIKeyWXEUPIAKRWYBET-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.04
Rot. Bonds6

About 5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine

5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine (PubChem CID 83189626) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine
PubChem CID83189626
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCc1nc(N(CCC(C)C)C2CCCC2)ncc1CN
InChIInChI=1S/C16H28N4/c1-12(2)8-9-20(15-6-4-5-7-15)16-18-11-14(10-17)13(3)19-16/h11-12,15H,4-10,17H2,1-3H3
InChIKeyWXEUPIAKRWYBET-UHFFFAOYSA-N
XLogP3.04
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83185973
2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
CID 83184371
5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 106999006
5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 107084638
5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83184931
5-(aminomethyl)-N,4-dimethyl-N-propan-2-ylpyrimidin-2-amine
CID 83185143
5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 83185816
4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105390159
N-cyclopropyl-4-methyl-5-[(2-methylpropylamino)methyl]-N-propylpyrimidin-2-amine
CID 83185783
5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83178532
5-(aminomethyl)-N,N-bis(cyclopropylmethyl)-4-methylpyrimidin-2-amine
CID 83186265
2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide
CID 107550615

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine (CID 83189626) is 5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine is Cc1nc(N(CCC(C)C)C2CCCC2)ncc1CN.
What is the InChIKey of 5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine?
The InChIKey is WXEUPIAKRWYBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12(2)8-9-20(15-6-4-5-7-15)16-18-11-14(10-17)13(3)19-16/h11-12,15H,4-10,17H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine?
5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 83189626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).