6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine

C18H25ClN4 — CID 112872614

IUPAC6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(NCc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C18H25ClN4/c1-4-10-23(11-5-2)18-12-17(21-14(3)22-18)20-13-15-8-6-7-9-16(15)19/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,21,22)
InChIKeyYEETURWQWFUMKN-UHFFFAOYSA-N
MW332.88 g/mol
LogP4.68
Rot. Bonds8

About 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine

6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine (PubChem CID 112872614) has the molecular formula C18H25ClN4 and a molecular weight of 332.88 g/mol. Its IUPAC name is 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
PubChem CID112872614
Molecular FormulaC18H25ClN4
Molecular Weight332.88 g/mol
Exact Mass332.18
IUPAC Name6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(NCc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C18H25ClN4/c1-4-10-23(11-5-2)18-12-17(21-14(3)22-18)20-13-15-8-6-7-9-16(15)19/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,21,22)
InChIKeyYEETURWQWFUMKN-UHFFFAOYSA-N
XLogP4.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(2-chlorophenyl)methyl]-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112872603
6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112871547
2-methyl-4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873254
N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine
CID 66324628
4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872608
6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112872618
6-N-(4-chlorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876660
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112874976
6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876661
6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109369963
4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906838

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine (CID 112872614) is 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine is CCCN(CCC)c1cc(NCc2ccccc2Cl)nc(C)n1.
What is the InChIKey of 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The InChIKey is YEETURWQWFUMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4/c1-4-10-23(11-5-2)18-12-17(21-14(3)22-18)20-13-15-8-6-7-9-16(15)19/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,21,22).
What are the key properties of 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine has a molecular weight of 332.88 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 112872614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).