4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine

C15H22N4 — CID 80984656

IUPAC4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1NC1CC2CCC1C2
InChIInChI=1S/C15H22N4/c1-8-13(16)18-15(10-4-5-10)19-14(8)17-12-7-9-2-3-11(12)6-9/h9-12H,2-7H2,1H3,(H3,16,17,18,19)
InChIKeyNBVULOIURGFEEM-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.85
Rot. Bonds3

About 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine

4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80984656) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
PubChem CID80984656
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1NC1CC2CCC1C2
InChIInChI=1S/C15H22N4/c1-8-13(16)18-15(10-4-5-10)19-14(8)17-12-7-9-2-3-11(12)6-9/h9-12H,2-7H2,1H3,(H3,16,17,18,19)
InChIKeyNBVULOIURGFEEM-UHFFFAOYSA-N
XLogP2.85
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine (CID 80984656) is 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine is Cc1c(N)nc(C2CC2)nc1NC1CC2CCC1C2.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is NBVULOIURGFEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-8-13(16)18-15(10-4-5-10)19-14(8)17-12-7-9-2-3-11(12)6-9/h9-12H,2-7H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).