3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine

C16H18Cl2N4 — CID 69463214

IUPAC3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine
SMILESCc1nc(CCCN)c2c(n1)N(c1ccc(Cl)cc1Cl)CC2
InChIInChI=1S/C16H18Cl2N4/c1-10-20-14(3-2-7-19)12-6-8-22(16(12)21-10)15-5-4-11(17)9-13(15)18/h4-5,9H,2-3,6-8,19H2,1H3
InChIKeyOIVJQFCPLMSTMM-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.68
Rot. Bonds4

About 3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine

3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine (PubChem CID 69463214) has the molecular formula C16H18Cl2N4 and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine
PubChem CID69463214
Molecular FormulaC16H18Cl2N4
Molecular Weight337.25 g/mol
Exact Mass336.09
IUPAC Name3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine
SMILESCc1nc(CCCN)c2c(n1)N(c1ccc(Cl)cc1Cl)CC2
InChIInChI=1S/C16H18Cl2N4/c1-10-20-14(3-2-7-19)12-6-8-22(16(12)21-10)15-5-4-11(17)9-13(15)18/h4-5,9H,2-3,6-8,19H2,1H3
InChIKeyOIVJQFCPLMSTMM-UHFFFAOYSA-N
XLogP3.68
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-N4-(cyclopropylmethyl)-2-methyl-N4-propyl-N6-(2,4,6-trichlorophenyl)-4,6-pyrimidinediamine
CID 176157
2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 697231
1-[3,4-Dichlorophenyl]-3-[4-[[[1-ethyl-3-pyrrolidinyl]methyl]amino]-6-methyl-2-pyrimidinyl]guanidine
CID 9604197
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine
CID 697235
5-(4-{[(4-Chlorophenyl)amino]methyl}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11508639
1-(4-Chlorophenyl)-2-[4-methyl-6-(2-phenylethylamino)pyrimidin-2-yl]guanidine
CID 44523242
7-(2,4-Dichlorophenyl)-10-methyl-2-pentan-3-yl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 9800613
N-Cyclopropylmethyl-2,5-dimethyl-N-propyl-N''-(2,4,6-trichloro-phenyl)-pyrimidine-4,6-diamine
CID 9801874
2-(2,4-Dichloro-phenyl)-4-methyl-6-(1-propyl-butyl)-2,6,7,8-tetrahydro-1,2,3,6-tetraaza-acenaphthylene
CID 9802053
7-(2,4-Dichlorophenyl)-2-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10159031
2-(2,4-Dichlorophenyl)-10-methyl-7-pentan-3-yl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10178517
2-(2,4-Dichlorophenyl)-7-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10180350

Frequently Asked Questions

What is the IUPAC name of 3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine?
The IUPAC name of 3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine (CID 69463214) is 3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine.
What is the SMILES notation for 3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine?
The canonical SMILES for 3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine is Cc1nc(CCCN)c2c(n1)N(c1ccc(Cl)cc1Cl)CC2.
What is the InChIKey of 3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine?
The InChIKey is OIVJQFCPLMSTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4/c1-10-20-14(3-2-7-19)12-6-8-22(16(12)21-10)15-5-4-11(17)9-13(15)18/h4-5,9H,2-3,6-8,19H2,1H3.
What are the key properties of 3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine?
3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine has a molecular weight of 337.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine is sourced from PubChem (CID 69463214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).