4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine

C16H26N4 — CID 80833913

IUPAC4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(C)CC1CC2CCC1C2
InChIInChI=1S/C16H26N4/c1-3-4-14-15(17)18-10-19-16(14)20(2)9-13-8-11-5-6-12(13)7-11/h10-13H,3-9H2,1-2H3,(H2,17,18,19)
InChIKeyFBVOFCCCTVPFOD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.88
Rot. Bonds5

About 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80833913) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80833913
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(C)CC1CC2CCC1C2
InChIInChI=1S/C16H26N4/c1-3-4-14-15(17)18-10-19-16(14)20(2)9-13-8-11-5-6-12(13)7-11/h10-13H,3-9H2,1-2H3,(H2,17,18,19)
InChIKeyFBVOFCCCTVPFOD-UHFFFAOYSA-N
XLogP2.88
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80833913) is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1N(C)CC1CC2CCC1C2.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is FBVOFCCCTVPFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-4-14-15(17)18-10-19-16(14)20(2)9-13-8-11-5-6-12(13)7-11/h10-13H,3-9H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 274.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80833913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).