5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one

C14H22N4O — CID 136975924

IUPAC5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one
SMILESCC12CCC(C1)C(C)(C)C2Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C14H22N4O/c1-13(2)8-4-5-14(3,6-8)12(13)18-10-9(15)11(19)17-7-16-10/h7-8,12H,4-6,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyDWOQCCZHTXGNJW-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.98
Rot. Bonds2

About 5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one (PubChem CID 136975924) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one
PubChem CID136975924
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one
SMILESCC12CCC(C1)C(C)(C)C2Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C14H22N4O/c1-13(2)8-4-5-14(3,6-8)12(13)18-10-9(15)11(19)17-7-16-10/h7-8,12H,4-6,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyDWOQCCZHTXGNJW-UHFFFAOYSA-N
XLogP1.98
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one (CID 136975924) is 5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one is CC12CCC(C1)C(C)(C)C2Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DWOQCCZHTXGNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-13(2)8-4-5-14(3,6-8)12(13)18-10-9(15)11(19)17-7-16-10/h7-8,12H,4-6,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).