N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine

C11H16ClN3O2 — CID 106300153

IUPACN-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC2(CCl)CCOCC2)n1
InChIInChI=1S/C11H16ClN3O2/c1-16-9-2-5-13-10(14-9)15-11(8-12)3-6-17-7-4-11/h2,5H,3-4,6-8H2,1H3,(H,13,14,15)
InChIKeyDOGQWJFOPKXJRY-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.69
Rot. Bonds4

About N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine

N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine (PubChem CID 106300153) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine
PubChem CID106300153
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC2(CCl)CCOCC2)n1
InChIInChI=1S/C11H16ClN3O2/c1-16-9-2-5-13-10(14-9)15-11(8-12)3-6-17-7-4-11/h2,5H,3-4,6-8H2,1H3,(H,13,14,15)
InChIKeyDOGQWJFOPKXJRY-UHFFFAOYSA-N
XLogP1.69
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(chloromethyl)cyclopentyl]-4-ethoxypyrimidin-2-amine
CID 112639280
4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine
CID 97089026
N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine
CID 106300213
4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine
CID 114696985
4-(chloromethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]oxan-4-amine
CID 106299633
4-methoxy-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112683355
4-methoxy-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-2-amine
CID 112685180
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine
CID 106300053
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine
CID 115457088
[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112637519
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112635634

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine (CID 106300153) is N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine is COc1ccnc(NC2(CCl)CCOCC2)n1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine?
The InChIKey is DOGQWJFOPKXJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-16-9-2-5-13-10(14-9)15-11(8-12)3-6-17-7-4-11/h2,5H,3-4,6-8H2,1H3,(H,13,14,15).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine?
N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine has a molecular weight of 257.72 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106300153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).