4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine

C9H14N4O — CID 103541763

IUPAC4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine
SMILESCOC1CCN(c2ccnc(N)n2)C1
InChIInChI=1S/C9H14N4O/c1-14-7-3-5-13(6-7)8-2-4-11-9(10)12-8/h2,4,7H,3,5-6H2,1H3,(H2,10,11,12)
InChIKeyXLJQVXJNXPVBHH-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.28
Rot. Bonds2

About 4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine

4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine (PubChem CID 103541763) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine
PubChem CID103541763
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine
SMILESCOC1CCN(c2ccnc(N)n2)C1
InChIInChI=1S/C9H14N4O/c1-14-7-3-5-13(6-7)8-2-4-11-9(10)12-8/h2,4,7H,3,5-6H2,1H3,(H2,10,11,12)
InChIKeyXLJQVXJNXPVBHH-UHFFFAOYSA-N
XLogP0.28
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80845282
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine
CID 80798046
6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 103541717
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122491269
1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 178108022
4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80827694
4-[4-[(3R)-3-methoxypyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 45102583
[4-(3-methoxypiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 102972011
[4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine
CID 121204980
6-(3-methoxypyrrolidin-1-yl)pyrazin-2-amine
CID 103541702

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine (CID 103541763) is 4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine is COC1CCN(c2ccnc(N)n2)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine?
The InChIKey is XLJQVXJNXPVBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-14-7-3-5-13(6-7)8-2-4-11-9(10)12-8/h2,4,7H,3,5-6H2,1H3,(H2,10,11,12).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine?
4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine has a molecular weight of 194.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 103541763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).