[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine

C10H16N4O — CID 66320781

IUPAC[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCOc1cc(N2CCC(CN)C2)ncn1
InChIInChI=1S/C10H16N4O/c1-15-10-4-9(12-7-13-10)14-3-2-8(5-11)6-14/h4,7-8H,2-3,5-6,11H2,1H3
InChIKeyHGURRNLHEAXSEF-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.27
Rot. Bonds3

About [1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine

[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 66320781) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID66320781
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCOc1cc(N2CCC(CN)C2)ncn1
InChIInChI=1S/C10H16N4O/c1-15-10-4-9(12-7-13-10)14-3-2-8(5-11)6-14/h4,7-8H,2-3,5-6,11H2,1H3
InChIKeyHGURRNLHEAXSEF-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66334205
1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976631
4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine
CID 114682611
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-propoxypyrimidine
CID 66334023
[6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80918094
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol
CID 172899245
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
methyl 5-[[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate
CID 166613973
2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66320112
N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66332224
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine (CID 66320781) is [1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine is COc1cc(N2CCC(CN)C2)ncn1.
What is the InChIKey of [1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is HGURRNLHEAXSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-15-10-4-9(12-7-13-10)14-3-2-8(5-11)6-14/h4,7-8H,2-3,5-6,11H2,1H3.
What are the key properties of [1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 208.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 66320781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).