N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine

C17H18N4O — CID 9023435

IUPACN-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESC[C@@H]1CCCCC1=NNc1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H18N4O/c1-11-6-2-4-8-13(11)20-21-17-16-15(18-10-19-17)12-7-3-5-9-14(12)22-16/h3,5,7,9-11H,2,4,6,8H2,1H3,(H,18,19,21)/t11-/m1/s1
InChIKeyVUESYAYALUFGBQ-LLVKDONJSA-N
MW294.36 g/mol
LogP4.35
Rot. Bonds2

About N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 9023435) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID9023435
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESC[C@@H]1CCCCC1=NNc1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H18N4O/c1-11-6-2-4-8-13(11)20-21-17-16-15(18-10-19-17)12-7-3-5-9-14(12)22-16/h3,5,7,9-11H,2,4,6,8H2,1H3,(H,18,19,21)/t11-/m1/s1
InChIKeyVUESYAYALUFGBQ-LLVKDONJSA-N
XLogP4.35
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylcyclohexylidene)amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023366
N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023405
N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9397520
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
N-[[(2R)-oxolan-2-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2067836
2-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]cyclohexan-1-ol
CID 133376280
2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol
CID 133496505
N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023507
5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)piperidin-2-one
CID 133286045
N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3599381
N-[(Z)-(2-fluorophenyl)methylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9300130
N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9299932

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 9023435) is N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine is C[C@@H]1CCCCC1=NNc1ncnc2c1oc1ccccc12.
What is the InChIKey of N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is VUESYAYALUFGBQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-6-2-4-8-13(11)20-21-17-16-15(18-10-19-17)12-7-3-5-9-14(12)22-16/h3,5,7,9-11H,2,4,6,8H2,1H3,(H,18,19,21)/t11-/m1/s1.
What are the key properties of N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-methylcyclohexylidene]amino]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 9023435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).