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

C12H20N6 — CID 80910192

IUPAC4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESNNc1cc(NCC2CC3CCC2C3)nc(N)n1
InChIInChI=1S/C12H20N6/c13-12-16-10(5-11(17-12)18-14)15-6-9-4-7-1-2-8(9)3-7/h5,7-9H,1-4,6,14H2,(H4,13,15,16,17,18)
InChIKeyRDNOULZRNIXDDX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.19
Rot. Bonds4

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

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80910192) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80910192
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESNNc1cc(NCC2CC3CCC2C3)nc(N)n1
InChIInChI=1S/C12H20N6/c13-12-16-10(5-11(17-12)18-14)15-6-9-4-7-1-2-8(9)3-7/h5,7-9H,1-4,6,14H2,(H4,13,15,16,17,18)
InChIKeyRDNOULZRNIXDDX-UHFFFAOYSA-N
XLogP1.19
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762067
6-hydrazinyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 107416016
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80833910
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine
CID 83265353
6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80926536
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278129
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834407
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)-1,3-benzoxazole-2,4-diamine
CID 79893012
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66275388

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine (CID 80910192) is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine is NNc1cc(NCC2CC3CCC2C3)nc(N)n1.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is RDNOULZRNIXDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c13-12-16-10(5-11(17-12)18-14)15-6-9-4-7-1-2-8(9)3-7/h5,7-9H,1-4,6,14H2,(H4,13,15,16,17,18).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine?
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 248.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80910192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).