N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine

C16H19N3O — CID 135098698

IUPACN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCOc1cc2c(cc1CNc1ccnc(C)n1)CCC2
InChIInChI=1S/C16H19N3O/c1-11-17-7-6-16(19-11)18-10-14-8-12-4-3-5-13(12)9-15(14)20-2/h6-9H,3-5,10H2,1-2H3,(H,17,18,19)
InChIKeyCCPWYOFAJZBYTR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.89
Rot. Bonds4

About N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 135098698) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID135098698
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCOc1cc2c(cc1CNc1ccnc(C)n1)CCC2
InChIInChI=1S/C16H19N3O/c1-11-17-7-6-16(19-11)18-10-14-8-12-4-3-5-13(12)9-15(14)20-2/h6-9H,3-5,10H2,1-2H3,(H,17,18,19)
InChIKeyCCPWYOFAJZBYTR-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 74237336
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine
CID 55112619
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine
CID 157014952
[6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135116818
2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 55112812
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 11844762
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125178474
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine
CID 114256795
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 62784735
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
CID 114694448
1'-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164691339
2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine
CID 91609637

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine (CID 135098698) is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine is COc1cc2c(cc1CNc1ccnc(C)n1)CCC2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is CCPWYOFAJZBYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-17-7-6-16(19-11)18-10-14-8-12-4-3-5-13(12)9-15(14)20-2/h6-9H,3-5,10H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine?
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 135098698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).