2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine

C11H15ClN4O — CID 143794618

IUPAC2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine
SMILES[H]/N=C/c1c(C)nc(Cl)nc1NC1CCCCO1
InChIInChI=1S/C11H15ClN4O/c1-7-8(6-13)10(16-11(12)14-7)15-9-4-2-3-5-17-9/h6,9,13H,2-5H2,1H3,(H,14,15,16)/b13-6+
InChIKeyFHBVWFHPNDGIOP-AWNIVKPZSA-N
MW254.72 g/mol
LogP2.37
Rot. Bonds3

About 2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine

2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine (PubChem CID 143794618) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine
PubChem CID143794618
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine
SMILES[H]/N=C/c1c(C)nc(Cl)nc1NC1CCCCO1
InChIInChI=1S/C11H15ClN4O/c1-7-8(6-13)10(16-11(12)14-7)15-9-4-2-3-5-17-9/h6,9,13H,2-5H2,1H3,(H,14,15,16)/b13-6+
InChIKeyFHBVWFHPNDGIOP-AWNIVKPZSA-N
XLogP2.37
TPSA70.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine
CID 145480232
6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine
CID 142525089
N-(3-bromo-2-methanimidoyl-4-methylphenyl)oxan-2-amine
CID 177026949
2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol
CID 139376447
N-[2-methanimidoyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxan-2-amine
CID 155647290
N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine
CID 139376476
N-(2-methanimidoyl-3-methyl-4-nitrophenyl)oxan-2-amine
CID 139365930
2-bromo-5,6-difluoro-3-methanimidoyl-4-(oxan-2-ylamino)phenol
CID 171077735
[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-[2-chloro-6-(cyclopentylamino)-5-methanimidoylpyrimidin-4-yl]azanium
CID 142446188
[2-chloro-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-6-(oxan-2-ylamino)pyrimidin-5-yl]methylideneazanium
CID 142537974
2-chloro-4-N-cyclohexyl-6-methanimidoyl-5-N-methylpyrimidine-4,5-diamine
CID 145224442
2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
CID 82460626

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine (CID 143794618) is 2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine is [H]/N=C/c1c(C)nc(Cl)nc1NC1CCCCO1.
What is the InChIKey of 2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine?
The InChIKey is FHBVWFHPNDGIOP-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-7-8(6-13)10(16-11(12)14-7)15-9-4-2-3-5-17-9/h6,9,13H,2-5H2,1H3,(H,14,15,16)/b13-6+.
What are the key properties of 2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine?
2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine has a molecular weight of 254.72 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 143794618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).