1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine

C15H18N4 — CID 79742028

IUPAC1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCc1cc(C)nc(NC2CCc3cc(N)ccc32)n1
InChIInChI=1S/C15H18N4/c1-9-7-10(2)18-15(17-9)19-14-6-3-11-8-12(16)4-5-13(11)14/h4-5,7-8,14H,3,6,16H2,1-2H3,(H,17,18,19)
InChIKeyPAIBBPDOKFNLQQ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.78
Rot. Bonds2

About 1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79742028) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79742028
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCc1cc(C)nc(NC2CCc3cc(N)ccc32)n1
InChIInChI=1S/C15H18N4/c1-9-7-10(2)18-15(17-9)19-14-6-3-11-8-12(16)4-5-13(11)14/h4-5,7-8,14H,3,6,16H2,1-2H3,(H,17,18,19)
InChIKeyPAIBBPDOKFNLQQ-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79742028) is 1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine is Cc1cc(C)nc(NC2CCc3cc(N)ccc32)n1.
What is the InChIKey of 1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is PAIBBPDOKFNLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-9-7-10(2)18-15(17-9)19-14-6-3-11-8-12(16)4-5-13(11)14/h4-5,7-8,14H,3,6,16H2,1-2H3,(H,17,18,19).
What are the key properties of 1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79742028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).