N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H16N4 — CID 165069432

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N[C@@H]3CCc4ccccc43)ncnc2[nH]1
InChIInChI=1S/C16H16N4/c1-10-8-13-15(19-10)17-9-18-16(13)20-14-7-6-11-4-2-3-5-12(11)14/h2-5,8-9,14H,6-7H2,1H3,(H2,17,18,19,20)/t14-/m1/s1
InChIKeyBNUDKFYMTDNPSD-CQSZACIVSA-N
MW264.33 g/mol
LogP3.37
Rot. Bonds2

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 165069432) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID165069432
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N[C@@H]3CCc4ccccc43)ncnc2[nH]1
InChIInChI=1S/C16H16N4/c1-10-8-13-15(19-10)17-9-18-16(13)20-14-7-6-11-4-2-3-5-12(11)14/h2-5,8-9,14H,6-7H2,1H3,(H2,17,18,19,20)/t14-/m1/s1
InChIKeyBNUDKFYMTDNPSD-CQSZACIVSA-N
XLogP3.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 164966304
6-methyl-N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174168244
6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174168228
(1S,2S)-2-N-methyl-1-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-N-(oxan-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 174168257
6-methyl-2-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961256
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine
CID 11948553
7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 78021068
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167897143
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine
CID 114049295
[(1R,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopent-2-en-1-yl]methanol
CID 66618064
(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 58944696
N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine
CID 123519413

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 165069432) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(N[C@@H]3CCc4ccccc43)ncnc2[nH]1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BNUDKFYMTDNPSD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N4/c1-10-8-13-15(19-10)17-9-18-16(13)20-14-7-6-11-4-2-3-5-12(11)14/h2-5,8-9,14H,6-7H2,1H3,(H2,17,18,19,20)/t14-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 165069432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).