6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine

C14H22ClN3O — CID 113491272

IUPAC6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NC1(C)CCOCC1
InChIInChI=1S/C14H22ClN3O/c1-9(2)12-16-11(15)10(3)13(17-12)18-14(4)5-7-19-8-6-14/h9H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyFZWBDBRNQQZTAQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.54
Rot. Bonds3

About 6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 113491272) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID113491272
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NC1(C)CCOCC1
InChIInChI=1S/C14H22ClN3O/c1-9(2)12-16-11(15)10(3)13(17-12)18-14(4)5-7-19-8-6-14/h9H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyFZWBDBRNQQZTAQ-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine (CID 113491272) is 6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NC1(C)CCOCC1.
What is the InChIKey of 6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is FZWBDBRNQQZTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9(2)12-16-11(15)10(3)13(17-12)18-14(4)5-7-19-8-6-14/h9H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 283.80 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 113491272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).