2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine

C14H17ClN4 — CID 133475787

IUPAC2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine
SMILESCc1cc(CNc2nccnc2N(C)C)ccc1Cl
InChIInChI=1S/C14H17ClN4/c1-10-8-11(4-5-12(10)15)9-18-13-14(19(2)3)17-7-6-16-13/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyYUDDUDILSPBVPU-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.12
Rot. Bonds4

About 2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine

2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine (PubChem CID 133475787) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine
PubChem CID133475787
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine
SMILESCc1cc(CNc2nccnc2N(C)C)ccc1Cl
InChIInChI=1S/C14H17ClN4/c1-10-8-11(4-5-12(10)15)9-18-13-14(19(2)3)17-7-6-16-13/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyYUDDUDILSPBVPU-UHFFFAOYSA-N
XLogP3.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784216
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 106875693
N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine
CID 103990933
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
N-[(4-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704947
3-[4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]phenyl]-1,3-oxazolidin-2-one
CID 133475744
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylamino)phenyl]pyrimidin-4-amine
CID 44820582
3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 106816290
3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103275724
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine
CID 65489501
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine
CID 83062801

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine?
The IUPAC name of 2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine (CID 133475787) is 2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine.
What is the SMILES notation for 2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine?
The canonical SMILES for 2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine is Cc1cc(CNc2nccnc2N(C)C)ccc1Cl.
What is the InChIKey of 2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine?
The InChIKey is YUDDUDILSPBVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-10-8-11(4-5-12(10)15)9-18-13-14(19(2)3)17-7-6-16-13/h4-8H,9H2,1-3H3,(H,16,18).
What are the key properties of 2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine?
2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine is sourced from PubChem (CID 133475787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).