6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine

C15H24ClN3 — CID 114130965

IUPAC6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCC1CCCC(C)C1
InChIInChI=1S/C15H24ClN3/c1-3-5-13-14(16)18-10-19-15(13)17-9-12-7-4-6-11(2)8-12/h10-12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyYXMQYNTWPWVHNF-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.32
Rot. Bonds5

About 6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine

6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine (PubChem CID 114130965) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
PubChem CID114130965
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCC1CCCC(C)C1
InChIInChI=1S/C15H24ClN3/c1-3-5-13-14(16)18-10-19-15(13)17-9-12-7-4-6-11(2)8-12/h10-12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyYXMQYNTWPWVHNF-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydrazinyl-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130795
6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 81040903
6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
CID 55228553
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729897
3-[[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138769
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine
CID 114129528
6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine
CID 114123758
N-[(3-methylcyclopentyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107414057
5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80835454
4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine
CID 114248317
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine (CID 114130965) is 6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NCC1CCCC(C)C1.
What is the InChIKey of 6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine?
The InChIKey is YXMQYNTWPWVHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-5-13-14(16)18-10-19-15(13)17-9-12-7-4-6-11(2)8-12/h10-12H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine?
6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine has a molecular weight of 281.83 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 114130965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).