4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine

C11H18N4O2 — CID 45226507

IUPAC4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCOCC1CCN(c2cc(OC)nc(N)n2)C1
InChIInChI=1S/C11H18N4O2/c1-16-7-8-3-4-15(6-8)9-5-10(17-2)14-11(12)13-9/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyDQGSMOPETCDDSF-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.54
Rot. Bonds4

About 4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine

4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 45226507) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID45226507
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCOCC1CCN(c2cc(OC)nc(N)n2)C1
InChIInChI=1S/C11H18N4O2/c1-16-7-8-3-4-15(6-8)9-5-10(17-2)14-11(12)13-9/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyDQGSMOPETCDDSF-UHFFFAOYSA-N
XLogP0.54
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidine
CID 90342261
Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
4-Methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129178
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
4-Isobutoxy-2,6-diisobutylamino-pyrimidine
CID 25129161
(3R*,4R*)-1-(2-amino-6-methoxy-4-pyrimidinyl)-3-cyclopropyl-4-methyl-3-pyrrolidinol
CID 72888379
4-(3-Methoxypropoxy)-6-pyrrolidin-1-ylpyrimidine
CID 172434283
2,6-Dimethoxy-N,N,N-trimethylpyrimidin-4-aminium chloride
CID 12684329
(3R*,4R*)-1-(2-amino-6-isopropoxy-4-pyrimidinyl)-3,4-dimethyl-3-pyrrolidinol
CID 72905059
(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 99638697
6-methoxy-N~4~-{[1-(methoxymethyl)cyclopentyl]methyl}pyrimidine-2,4-diamine
CID 122557698
N~4~-[rac-(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methoxypyrimidine-2,4-diamine
CID 122567257

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine (CID 45226507) is 4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine is COCC1CCN(c2cc(OC)nc(N)n2)C1.
What is the InChIKey of 4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is DQGSMOPETCDDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-16-7-8-3-4-15(6-8)9-5-10(17-2)14-11(12)13-9/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 45226507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).