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

C10H16N4O — CID 80845282

IUPAC4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCOCC1CCN(c2ccnc(N)n2)C1
InChIInChI=1S/C10H16N4O/c1-15-7-8-3-5-14(6-8)9-2-4-12-10(11)13-9/h2,4,8H,3,5-7H2,1H3,(H2,11,12,13)
InChIKeyPEDPULXEOZQOHK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.53
Rot. Bonds3

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

4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 80845282) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID80845282
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCOCC1CCN(c2ccnc(N)n2)C1
InChIInChI=1S/C10H16N4O/c1-15-7-8-3-5-14(6-8)9-2-4-12-10(11)13-9/h2,4,8H,3,5-7H2,1H3,(H2,11,12,13)
InChIKeyPEDPULXEOZQOHK-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine (CID 80845282) is 4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine is COCC1CCN(c2ccnc(N)n2)C1.
What is the InChIKey of 4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is PEDPULXEOZQOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-15-7-8-3-5-14(6-8)9-2-4-12-10(11)13-9/h2,4,8H,3,5-7H2,1H3,(H2,11,12,13).
What are the key properties of 4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 208.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80845282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).