2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine

C17H21N3 — CID 65404630

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(C2CCc3ccccc32)n1
InChIInChI=1S/C17H21N3/c1-3-10-18-16-11-12(2)19-17(20-16)15-9-8-13-6-4-5-7-14(13)15/h4-7,11,15H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyMZTNGMAFVDOGLV-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.69
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine

2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 65404630) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID65404630
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(C2CCc3ccccc32)n1
InChIInChI=1S/C17H21N3/c1-3-10-18-16-11-12(2)19-17(20-16)15-9-8-13-6-4-5-7-14(13)15/h4-7,11,15H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyMZTNGMAFVDOGLV-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
5H-Benzo(6,7)cyclohepta(1,2-d)pyrimidin-2-amine, 4-((3R)-3-amino-1-pyrrolidinyl)-6,7-dihydro-
CID 25068753
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071004
A-940894
CID 25071319
6-[3-(Methylamino)azetidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25101945
9-phenyl-4-(piperazin-1-yl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-amine
CID 25129169

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine (CID 65404630) is 2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(C2CCc3ccccc32)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is MZTNGMAFVDOGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-10-18-16-11-12(2)19-17(20-16)15-9-8-13-6-4-5-7-14(13)15/h4-7,11,15H,3,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine?
2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 65404630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).