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

C15H25N5 — CID 80834865

IUPAC4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCC2CC3CCC2C3)nc(N)n1
InChIInChI=1S/C15H25N5/c1-2-5-17-13-8-14(20-15(16)19-13)18-9-12-7-10-3-4-11(12)6-10/h8,10-12H,2-7,9H2,1H3,(H4,16,17,18,19,20)
InChIKeyQWKYMNNWJQHJSB-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.73
Rot. Bonds6

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

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80834865) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80834865
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCC2CC3CCC2C3)nc(N)n1
InChIInChI=1S/C15H25N5/c1-2-5-17-13-8-14(20-15(16)19-13)18-9-12-7-10-3-4-11(12)6-10/h8,10-12H,2-7,9H2,1H3,(H4,16,17,18,19,20)
InChIKeyQWKYMNNWJQHJSB-UHFFFAOYSA-N
XLogP2.73
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80910192
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834407
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80772094
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937154
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80833910
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80852734
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80817925
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine
CID 83265353
4-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 106029078
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine (CID 80834865) is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NCC2CC3CCC2C3)nc(N)n1.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is QWKYMNNWJQHJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-2-5-17-13-8-14(20-15(16)19-13)18-9-12-7-10-3-4-11(12)6-10/h8,10-12H,2-7,9H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 275.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80834865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).