[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine

C10H16N4O — CID 107542321

IUPAC[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
SMILESCOC1CCN(c2nccc(CN)n2)C1
InChIInChI=1S/C10H16N4O/c1-15-9-3-5-14(7-9)10-12-4-2-8(6-11)13-10/h2,4,9H,3,5-7,11H2,1H3
InChIKeyDIBMQQHRZDVVAV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.16
Rot. Bonds3

About [2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine

[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine (PubChem CID 107542321) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
PubChem CID107542321
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
SMILESCOC1CCN(c2nccc(CN)n2)C1
InChIInChI=1S/C10H16N4O/c1-15-9-3-5-14(7-9)10-12-4-2-8(6-11)13-10/h2,4,9H,3,5-7,11H2,1H3
InChIKeyDIBMQQHRZDVVAV-UHFFFAOYSA-N
XLogP0.16
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542226
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine
CID 107542111
2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide
CID 107550740
[2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]methanamine
CID 107541477
[2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine
CID 107542244
4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine
CID 103541763
(3R)-1-[4-(methoxymethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 176625763
[4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine
CID 121204980
[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540672
[4-(3-methoxypiperidin-1-yl)-2-pyridinyl]methanamine
CID 102955936
2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine
CID 126980763
2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107545426

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine (CID 107542321) is [2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine is COC1CCN(c2nccc(CN)n2)C1.
What is the InChIKey of [2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine?
The InChIKey is DIBMQQHRZDVVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-15-9-3-5-14(7-9)10-12-4-2-8(6-11)13-10/h2,4,9H,3,5-7,11H2,1H3.
What are the key properties of [2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine?
[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine has a molecular weight of 208.26 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).