N,N-dibenzyl-6-chloropyrimidin-4-amine

C18H16ClN3 — CID 130157763

IUPACN,N-dibenzyl-6-chloropyrimidin-4-amine
SMILESClc1cc(N(Cc2ccccc2)Cc2ccccc2)ncn1
InChIInChI=1S/C18H16ClN3/c19-17-11-18(21-14-20-17)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-11,14H,12-13H2
InChIKeyHGGKFJYDRBSCHR-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.34
Rot. Bonds5

About N,N-dibenzyl-6-chloropyrimidin-4-amine

N,N-dibenzyl-6-chloropyrimidin-4-amine (PubChem CID 130157763) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is N,N-dibenzyl-6-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dibenzyl-6-chloropyrimidin-4-amine
PubChem CID130157763
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC NameN,N-dibenzyl-6-chloropyrimidin-4-amine
SMILESClc1cc(N(Cc2ccccc2)Cc2ccccc2)ncn1
InChIInChI=1S/C18H16ClN3/c19-17-11-18(21-14-20-17)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-11,14H,12-13H2
InChIKeyHGGKFJYDRBSCHR-UHFFFAOYSA-N
XLogP4.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 174533398
N,N-dibenzyl-6-chloropyridin-2-amine
CID 130159096
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 75515994
6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112859466
N-benzyl-N-(2-chloroethyl)-6-propan-2-yloxypyrimidin-4-amine
CID 66331834
4-N,6-N-bis(6-chloropyrimidin-4-yl)-4-N,6-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 46177482
2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide
CID 62923523
3-[[(6-chloropyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 55141171
N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855661
4-N-benzyl-6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860547
4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860538

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-6-chloropyrimidin-4-amine?
The IUPAC name of N,N-dibenzyl-6-chloropyrimidin-4-amine (CID 130157763) is N,N-dibenzyl-6-chloropyrimidin-4-amine.
What is the SMILES notation for N,N-dibenzyl-6-chloropyrimidin-4-amine?
The canonical SMILES for N,N-dibenzyl-6-chloropyrimidin-4-amine is Clc1cc(N(Cc2ccccc2)Cc2ccccc2)ncn1.
What is the InChIKey of N,N-dibenzyl-6-chloropyrimidin-4-amine?
The InChIKey is HGGKFJYDRBSCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c19-17-11-18(21-14-20-17)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-11,14H,12-13H2.
What are the key properties of N,N-dibenzyl-6-chloropyrimidin-4-amine?
N,N-dibenzyl-6-chloropyrimidin-4-amine has a molecular weight of 309.80 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-6-chloropyrimidin-4-amine is sourced from PubChem (CID 130157763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).