2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine

C17H20N4 — CID 80958381

IUPAC2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine
SMILESNc1cc(NC2CCc3ccccc3C2)nc(C2CC2)n1
InChIInChI=1S/C17H20N4/c18-15-10-16(21-17(20-15)12-5-6-12)19-14-8-7-11-3-1-2-4-13(11)9-14/h1-4,10,12,14H,5-9H2,(H3,18,19,20,21)
InChIKeyVJJSMQUPOZVMMB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.91
Rot. Bonds3

About 2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine (PubChem CID 80958381) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine
PubChem CID80958381
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine
SMILESNc1cc(NC2CCc3ccccc3C2)nc(C2CC2)n1
InChIInChI=1S/C17H20N4/c18-15-10-16(21-17(20-15)12-5-6-12)19-14-8-7-11-3-1-2-4-13(11)9-14/h1-4,10,12,14H,5-9H2,(H3,18,19,20,21)
InChIKeyVJJSMQUPOZVMMB-UHFFFAOYSA-N
XLogP2.91
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine (CID 80958381) is 2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine is Nc1cc(NC2CCc3ccccc3C2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine?
The InChIKey is VJJSMQUPOZVMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c18-15-10-16(21-17(20-15)12-5-6-12)19-14-8-7-11-3-1-2-4-13(11)9-14/h1-4,10,12,14H,5-9H2,(H3,18,19,20,21).
What are the key properties of 2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine has a molecular weight of 280.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80958381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).