N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine

C15H22ClN3 — CID 63729897

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCC1CC2CCC1C2
InChIInChI=1S/C15H22ClN3/c1-2-3-13-14(16)18-9-19-15(13)17-8-12-7-10-4-5-11(12)6-10/h9-12H,2-8H2,1H3,(H,17,18,19)
InChIKeyACRAWRJOVNGMQX-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.93
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine (PubChem CID 63729897) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine
PubChem CID63729897
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCC1CC2CCC1C2
InChIInChI=1S/C15H22ClN3/c1-2-3-13-14(16)18-9-19-15(13)17-8-12-7-10-4-5-11(12)6-10/h9-12H,2-8H2,1H3,(H,17,18,19)
InChIKeyACRAWRJOVNGMQX-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130965
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine
CID 114072320
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80833910
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834407
6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
CID 55228553
6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 81040903
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine
CID 79073593
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762067
N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55229488
6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine
CID 114123827
6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine
CID 114123758

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine (CID 63729897) is N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine?
The InChIKey is ACRAWRJOVNGMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-2-3-13-14(16)18-9-19-15(13)17-8-12-7-10-4-5-11(12)6-10/h9-12H,2-8H2,1H3,(H,17,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine has a molecular weight of 279.81 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63729897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).