N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine

C14H16ClN3 — CID 63735417

IUPACN-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)Cc1ccccc1
InChIInChI=1S/C14H16ClN3/c1-3-12-13(15)16-10-17-14(12)18(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyBRRLEAKHLIEUCI-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.33
Rot. Bonds4

About N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine

N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 63735417) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID63735417
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)Cc1ccccc1
InChIInChI=1S/C14H16ClN3/c1-3-12-13(15)16-10-17-14(12)18(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyBRRLEAKHLIEUCI-UHFFFAOYSA-N
XLogP3.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63735238
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
N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63729447
6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 63730431
4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine
CID 63728101
4-N-benzyl-6-N-(2-chloro-3-pyridinyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539688
N-benzyl-9-ethyl-N-methylpurin-6-amine
CID 163348599
4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793896
5-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80781371
N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80917919

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine (CID 63735417) is N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(Cl)ncnc1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is BRRLEAKHLIEUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-3-12-13(15)16-10-17-14(12)18(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine?
N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63735417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).