(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine

C10H16N4O2 — CID 136582876

IUPAC(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
SMILESCOc1cc(OC)nc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C10H16N4O2/c1-15-8-5-9(16-2)13-10(12-8)14-4-3-7(11)6-14/h5,7H,3-4,6,11H2,1-2H3/t7-/m1/s1
InChIKeyIQIXDKXNRSPAIK-SSDOTTSWSA-N
MW224.26 g/mol
LogP0.03
Rot. Bonds3

About (3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine

(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine (PubChem CID 136582876) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
PubChem CID136582876
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
SMILESCOc1cc(OC)nc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C10H16N4O2/c1-15-8-5-9(16-2)13-10(12-8)14-4-3-7(11)6-14/h5,7H,3-4,6,11H2,1-2H3/t7-/m1/s1
InChIKeyIQIXDKXNRSPAIK-SSDOTTSWSA-N
XLogP0.03
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 113293006
2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine
CID 115355746
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
2-[4-(chloromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 113293068
1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627918
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 115355317
2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 172880777
4,6-dimethoxy-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 96913861
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carbaldehyde
CID 115355577
1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine
CID 115355411
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidin-4-amine
CID 115354664

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine (CID 136582876) is (3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine is COc1cc(OC)nc(N2CC[C@@H](N)C2)n1.
What is the InChIKey of (3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine?
The InChIKey is IQIXDKXNRSPAIK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-15-8-5-9(16-2)13-10(12-8)14-4-3-7(11)6-14/h5,7H,3-4,6,11H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine?
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine has a molecular weight of 224.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 136582876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).