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

C17H28N4 — CID 80817925

IUPAC4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCC2CC3CCC2C3)c1C
InChIInChI=1S/C17H28N4/c1-4-7-18-16-11(2)17(21-12(3)20-16)19-10-15-9-13-5-6-14(15)8-13/h13-15H,4-10H2,1-3H3,(H2,18,19,20,21)
InChIKeyDFRGQVLCKOGUDW-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.76
Rot. Bonds6

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

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80817925) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80817925
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCC2CC3CCC2C3)c1C
InChIInChI=1S/C17H28N4/c1-4-7-18-16-11(2)17(21-12(3)20-16)19-10-15-9-13-5-6-14(15)8-13/h13-15H,4-10H2,1-3H3,(H2,18,19,20,21)
InChIKeyDFRGQVLCKOGUDW-UHFFFAOYSA-N
XLogP3.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298770
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80834865
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834407
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 113383589
3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 62734597
2,5-dimethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80828474
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-propylthiourea
CID 124868104
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729897
2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid
CID 63685394
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylpyridine-2,5-diamine
CID 63689946
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (CID 80817925) is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(NCC2CC3CCC2C3)c1C.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DFRGQVLCKOGUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-7-18-16-11(2)17(21-12(3)20-16)19-10-15-9-13-5-6-14(15)8-13/h13-15H,4-10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.76, 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)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80817925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).