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

C14H22N4 — CID 80833910

IUPAC4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CC3CCC2C3)ncn1
InChIInChI=1S/C14H22N4/c1-2-15-13-7-14(18-9-17-13)16-8-12-6-10-3-4-11(12)5-10/h7,9-12H,2-6,8H2,1H3,(H2,15,16,17,18)
InChIKeyQKVWOXWFFFGBQV-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.76
Rot. Bonds5

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

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80833910) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80833910
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CC3CCC2C3)ncn1
InChIInChI=1S/C14H22N4/c1-2-15-13-7-14(18-9-17-13)16-8-12-6-10-3-4-11(12)5-10/h7,9-12H,2-6,8H2,1H3,(H2,15,16,17,18)
InChIKeyQKVWOXWFFFGBQV-UHFFFAOYSA-N
XLogP2.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834407
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine
CID 83265353
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-propylpyrimidine-2,4,6-triamine
CID 80834865
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729897
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80910192
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-N-methylpyrimidine-4,6-diamine
CID 114072320
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 58227290
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565083
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylpyridine-2,5-diamine
CID 63689946
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine
CID 114003116
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 63684481

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine (CID 80833910) is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(NCC2CC3CCC2C3)ncn1.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is QKVWOXWFFFGBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-15-13-7-14(18-9-17-13)16-8-12-6-10-3-4-11(12)5-10/h7,9-12H,2-6,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.76, 5 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-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80833910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).