2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine

C13H13N3 — CID 140627468

IUPAC2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
SMILESNc1ccnc([C@H]2CCc3ccccc32)n1
InChIInChI=1S/C13H13N3/c14-12-7-8-15-13(16-12)11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6H2,(H2,14,15,16)/t11-/m0/s1
InChIKeyHDWCSUBMNBFXQK-NSHDSACASA-N
MW211.27 g/mol
LogP2.14
Rot. Bonds1

About 2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine

2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine (PubChem CID 140627468) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
PubChem CID140627468
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
SMILESNc1ccnc([C@H]2CCc3ccccc32)n1
InChIInChI=1S/C13H13N3/c14-12-7-8-15-13(16-12)11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6H2,(H2,14,15,16)/t11-/m0/s1
InChIKeyHDWCSUBMNBFXQK-NSHDSACASA-N
XLogP2.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 65403490
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine
CID 55175289
4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 70982416
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65408791
4-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65403941
(1R)-1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899514
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65408598
5-(2,3-dihydro-1H-inden-1-yl)-2H-tetrazole
CID 14662611
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79192547
4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide
CID 116648134
[6-cyclopropyl-2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]hydrazine
CID 65404645
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine (CID 140627468) is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine is Nc1ccnc([C@H]2CCc3ccccc32)n1.
What is the InChIKey of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine?
The InChIKey is HDWCSUBMNBFXQK-NSHDSACASA-N. The full InChI is InChI=1S/C13H13N3/c14-12-7-8-15-13(16-12)11-6-5-9-3-1-2-4-10(9)11/h1-4,7-8,11H,5-6H2,(H2,14,15,16)/t11-/m0/s1.
What are the key properties of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine?
2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine has a molecular weight of 211.27 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 140627468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).