1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine

C17H22N4 — CID 63761795

IUPAC1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCc1cc(NC2c3ccccc3CC2N)nc(C(C)C)n1
InChIInChI=1S/C17H22N4/c1-10(2)17-19-11(3)8-15(21-17)20-16-13-7-5-4-6-12(13)9-14(16)18/h4-8,10,14,16H,9,18H2,1-3H3,(H,19,20,21)
InChIKeyOWAOHVVLAFSBHR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.95
Rot. Bonds3

About 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine

1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 63761795) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID63761795
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCc1cc(NC2c3ccccc3CC2N)nc(C(C)C)n1
InChIInChI=1S/C17H22N4/c1-10(2)17-19-11(3)8-15(21-17)20-16-13-7-5-4-6-12(13)9-14(16)18/h4-8,10,14,16H,9,18H2,1-3H3,(H,19,20,21)
InChIKeyOWAOHVVLAFSBHR-UHFFFAOYSA-N
XLogP2.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine (CID 63761795) is 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine is Cc1cc(NC2c3ccccc3CC2N)nc(C(C)C)n1.
What is the InChIKey of 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is OWAOHVVLAFSBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-10(2)17-19-11(3)8-15(21-17)20-16-13-7-5-4-6-12(13)9-14(16)18/h4-8,10,14,16H,9,18H2,1-3H3,(H,19,20,21).
What are the key properties of 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine?
1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 282.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 63761795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).