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

C15H24N4 — CID 80834407

IUPAC4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CC3CCC2C3)ncn1
InChIInChI=1S/C15H24N4/c1-2-5-16-14-8-15(19-10-18-14)17-9-13-7-11-3-4-12(13)6-11/h8,10-13H,2-7,9H2,1H3,(H2,16,17,18,19)
InChIKeyPQQLLAUJBWCPAD-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.15
Rot. Bonds6

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

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80834407) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80834407
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CC3CCC2C3)ncn1
InChIInChI=1S/C15H24N4/c1-2-5-16-14-8-15(19-10-18-14)17-9-13-7-11-3-4-12(13)6-11/h8,10-13H,2-7,9H2,1H3,(H2,16,17,18,19)
InChIKeyPQQLLAUJBWCPAD-UHFFFAOYSA-N
XLogP3.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80833910
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80834865
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine
CID 83265353
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937154
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80817925
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729897
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80910192

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine (CID 80834407) is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC2CC3CCC2C3)ncn1.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is PQQLLAUJBWCPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-5-16-14-8-15(19-10-18-14)17-9-13-7-11-3-4-12(13)6-11/h8,10-13H,2-7,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 260.38 g/mol, XLogP of 3.15, 6 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]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80834407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).