6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine

C11H18ClN3O — CID 106330892

IUPAC6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine
SMILESCCC(C)(CC)Nc1ncnc(Cl)c1OC
InChIInChI=1S/C11H18ClN3O/c1-5-11(3,6-2)15-10-8(16-4)9(12)13-7-14-10/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyXVTYYMDQPCRDTN-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.13
Rot. Bonds5

About 6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine

6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine (PubChem CID 106330892) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine
PubChem CID106330892
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine
SMILESCCC(C)(CC)Nc1ncnc(Cl)c1OC
InChIInChI=1S/C11H18ClN3O/c1-5-11(3,6-2)15-10-8(16-4)9(12)13-7-14-10/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyXVTYYMDQPCRDTN-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
CID 114943689
1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293481
4,6-dichloro-5-methoxypyrimidine;ethane
CID 144589632
5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107318311
6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
CID 107817622
6-chloro-5-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193149
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 64550149
[1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115455244
6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine
CID 65042609
6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 114516488
6-chloro-N-hex-1-yn-3-yl-5-methoxypyrimidin-4-amine
CID 106232820
6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897364

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine (CID 106330892) is 6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine is CCC(C)(CC)Nc1ncnc(Cl)c1OC.
What is the InChIKey of 6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine?
The InChIKey is XVTYYMDQPCRDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-5-11(3,6-2)15-10-8(16-4)9(12)13-7-14-10/h7H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine?
6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine has a molecular weight of 243.74 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 106330892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).