6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine

C12H21N3O — CID 66324648

IUPAC6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
SMILESCCC(Nc1cc(OC)nc(C)n1)C(C)C
InChIInChI=1S/C12H21N3O/c1-6-10(8(2)3)15-11-7-12(16-5)14-9(4)13-11/h7-8,10H,6H2,1-5H3,(H,13,14,15)
InChIKeyKEGMTYGBIPULKE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.64
Rot. Bonds5

About 6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine

6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine (PubChem CID 66324648) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
PubChem CID66324648
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
SMILESCCC(Nc1cc(OC)nc(C)n1)C(C)C
InChIInChI=1S/C12H21N3O/c1-6-10(8(2)3)15-11-7-12(16-5)14-9(4)13-11/h7-8,10H,6H2,1-5H3,(H,13,14,15)
InChIKeyKEGMTYGBIPULKE-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine (CID 66324648) is 6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine is CCC(Nc1cc(OC)nc(C)n1)C(C)C.
What is the InChIKey of 6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine?
The InChIKey is KEGMTYGBIPULKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-10(8(2)3)15-11-7-12(16-5)14-9(4)13-11/h7-8,10H,6H2,1-5H3,(H,13,14,15).
What are the key properties of 6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine?
6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 66324648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).