2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine

C17H22ClN3 — CID 63486808

IUPAC2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(CCC)nc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C17H22ClN3/c1-3-6-15-12-16(19-9-4-2)21-17(20-15)11-13-7-5-8-14(18)10-13/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,19,20,21)
InChIKeyUTYUCMHOVBHISX-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.50
Rot. Bonds7

About 2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine

2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine (PubChem CID 63486808) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
PubChem CID63486808
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(CCC)nc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C17H22ClN3/c1-3-6-15-12-16(19-9-4-2)21-17(20-15)11-13-7-5-8-14(18)10-13/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,19,20,21)
InChIKeyUTYUCMHOVBHISX-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320406
2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485762
2-benzyl-N-ethyl-6-propylpyrimidin-4-amine
CID 62192157
2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485042
4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80938555
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62320410
N-[[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
CID 62747011
N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62745702
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
CID 116546086
2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
2-[2-(dimethylamino)ethyl]-N,6-dipropylpyrimidin-4-amine
CID 115346995
N-ethyl-2-propyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737131

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine (CID 63486808) is 2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine is CCCNc1cc(CCC)nc(Cc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine?
The InChIKey is UTYUCMHOVBHISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-6-15-12-16(19-9-4-2)21-17(20-15)11-13-7-5-8-14(18)10-13/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine?
2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine has a molecular weight of 303.84 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 63486808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).