6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine

C12H20N4O2 — CID 95788206

IUPAC6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine
SMILESCOc1ncnc(N)c1CNCC[C@H]1CCCO1
InChIInChI=1S/C12H20N4O2/c1-17-12-10(11(13)15-8-16-12)7-14-5-4-9-3-2-6-18-9/h8-9,14H,2-7H2,1H3,(H2,13,15,16)/t9-/m1/s1
InChIKeyHMANPXUAMOLWBV-SECBINFHSA-N
MW252.32 g/mol
LogP0.73
Rot. Bonds6

About 6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine

6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine (PubChem CID 95788206) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine
PubChem CID95788206
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine
SMILESCOc1ncnc(N)c1CNCC[C@H]1CCCO1
InChIInChI=1S/C12H20N4O2/c1-17-12-10(11(13)15-8-16-12)7-14-5-4-9-3-2-6-18-9/h8-9,14H,2-7H2,1H3,(H2,13,15,16)/t9-/m1/s1
InChIKeyHMANPXUAMOLWBV-SECBINFHSA-N
XLogP0.73
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine (CID 95788206) is 6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine is COc1ncnc(N)c1CNCC[C@H]1CCCO1.
What is the InChIKey of 6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine?
The InChIKey is HMANPXUAMOLWBV-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-17-12-10(11(13)15-8-16-12)7-14-5-4-9-3-2-6-18-9/h8-9,14H,2-7H2,1H3,(H2,13,15,16)/t9-/m1/s1.
What are the key properties of 6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine?
6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 95788206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).