4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

C18H24N6 — CID 134716375

IUPAC4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(NC3CCc4ccccc43)nc(N)n2)CC1
InChIInChI=1S/C18H24N6/c1-23-8-10-24(11-9-23)17-12-16(21-18(19)22-17)20-15-7-6-13-4-2-3-5-14(13)15/h2-5,12,15H,6-11H2,1H3,(H3,19,20,21,22)
InChIKeyYAKSGSPGZDHOBD-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.91
Rot. Bonds3

About 4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 134716375) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID134716375
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(NC3CCc4ccccc43)nc(N)n2)CC1
InChIInChI=1S/C18H24N6/c1-23-8-10-24(11-9-23)17-12-16(21-18(19)22-17)20-15-7-6-13-4-2-3-5-14(13)15/h2-5,12,15H,6-11H2,1H3,(H3,19,20,21,22)
InChIKeyYAKSGSPGZDHOBD-UHFFFAOYSA-N
XLogP1.91
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 134716375) is 4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is CN1CCN(c2cc(NC3CCc4ccccc43)nc(N)n2)CC1.
What is the InChIKey of 4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is YAKSGSPGZDHOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-23-8-10-24(11-9-23)17-12-16(21-18(19)22-17)20-15-7-6-13-4-2-3-5-14(13)15/h2-5,12,15H,6-11H2,1H3,(H3,19,20,21,22).
What are the key properties of 4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 324.43 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1H-inden-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 134716375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).