N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine

C15H18ClN3 — CID 63735238

IUPACN-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(C)Cc1ccccc1
InChIInChI=1S/C15H18ClN3/c1-3-7-13-14(16)17-11-18-15(13)19(2)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
InChIKeyBOFYFSXGNGZUFL-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.72
Rot. Bonds5

About N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine

N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 63735238) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine
PubChem CID63735238
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(C)Cc1ccccc1
InChIInChI=1S/C15H18ClN3/c1-3-7-13-14(16)17-11-18-15(13)19(2)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
InChIKeyBOFYFSXGNGZUFL-UHFFFAOYSA-N
XLogP3.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
CID 63735417
N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63729447
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine
CID 63728101
4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015
6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63730106
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine
CID 63728499
4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80788386
6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
CID 63735945
6-hydrazinyl-N-methyl-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906104
4-N-benzyl-6-N-(2-chloro-3-pyridinyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539688
N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899566

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine (CID 63735238) is N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is BOFYFSXGNGZUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-7-13-14(16)17-11-18-15(13)19(2)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3.
What are the key properties of N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine?
N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63735238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).