6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine

C14H24ClN3 — CID 80971489

IUPAC6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC(CC)C(C)C)n1
InChIInChI=1S/C14H24ClN3/c1-6-8-12-17-13(15)10(5)14(18-12)16-11(7-2)9(3)4/h9,11H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyFDRBMZJANIZUQK-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.24
Rot. Bonds6

About 6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine

6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine (PubChem CID 80971489) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
PubChem CID80971489
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC(CC)C(C)C)n1
InChIInChI=1S/C14H24ClN3/c1-6-8-12-17-13(15)10(5)14(18-12)16-11(7-2)9(3)4/h9,11H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyFDRBMZJANIZUQK-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80987275
6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine
CID 106196052
6-chloro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80978917
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114156614
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114177389
6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine
CID 80979033
(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80992204
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972117
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80979585
2-ethyl-5-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 80987277
6-chloro-2-ethyl-N-(3-ethylpentan-2-yl)-5-methylpyrimidin-4-amine
CID 80971853
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358092

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine (CID 80971489) is 6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NC(CC)C(C)C)n1.
What is the InChIKey of 6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine?
The InChIKey is FDRBMZJANIZUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-6-8-12-17-13(15)10(5)14(18-12)16-11(7-2)9(3)4/h9,11H,6-8H2,1-5H3,(H,16,17,18).
What are the key properties of 6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine?
6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine has a molecular weight of 269.82 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80971489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).