5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine

C11H18N4O — CID 104973111

IUPAC5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
SMILESCOc1cnc(NCC[C@H]2CCCN2)nc1
InChIInChI=1S/C11H18N4O/c1-16-10-7-14-11(15-8-10)13-6-4-9-3-2-5-12-9/h7-9,12H,2-6H2,1H3,(H,13,14,15)/t9-/m1/s1
InChIKeySXQNNNIGMKNOCD-SECBINFHSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds5

About 5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine

5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine (PubChem CID 104973111) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
PubChem CID104973111
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
SMILESCOc1cnc(NCC[C@H]2CCCN2)nc1
InChIInChI=1S/C11H18N4O/c1-16-10-7-14-11(15-8-10)13-6-4-9-3-2-5-12-9/h7-9,12H,2-6H2,1H3,(H,13,14,15)/t9-/m1/s1
InChIKeySXQNNNIGMKNOCD-SECBINFHSA-N
XLogP1.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973513
N-(2-piperidin-2-ylethyl)-5-propan-2-ylpyrimidin-2-amine
CID 116975975
5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794411
N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
CID 116975951
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
6-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973532
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
CID 106541129
5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656
3,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973149
4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210173
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875
4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794433

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of 5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine (CID 104973111) is 5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine is COc1cnc(NCC[C@H]2CCCN2)nc1.
What is the InChIKey of 5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine?
The InChIKey is SXQNNNIGMKNOCD-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4O/c1-16-10-7-14-11(15-8-10)13-6-4-9-3-2-5-12-9/h7-9,12H,2-6H2,1H3,(H,13,14,15)/t9-/m1/s1.
What are the key properties of 5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine?
5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 104973111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).