4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine

C10H17N3 — CID 21059254

IUPAC4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC(C)C)n1
InChIInChI=1S/C10H17N3/c1-7(2)6-11-10-12-8(3)5-9(4)13-10/h5,7H,6H2,1-4H3,(H,11,12,13)
InChIKeyTULYLWWFGOCWCR-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.16
Rot. Bonds3

About 4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine

4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 21059254) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID21059254
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC(C)C)n1
InChIInChI=1S/C10H17N3/c1-7(2)6-11-10-12-8(3)5-9(4)13-10/h5,7H,6H2,1-4H3,(H,11,12,13)
InChIKeyTULYLWWFGOCWCR-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine (CID 21059254) is 4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine is Cc1cc(C)nc(NCC(C)C)n1.
What is the InChIKey of 4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is TULYLWWFGOCWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)6-11-10-12-8(3)5-9(4)13-10/h5,7H,6H2,1-4H3,(H,11,12,13).
What are the key properties of 4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine?
4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 179.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 21059254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).