N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine

C16H21N5O — CID 99638683

IUPACN-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCCOc1cc(N2CC[C@@H](CNc3ccccn3)C2)ncn1
InChIInChI=1S/C16H21N5O/c1-2-22-16-9-15(19-12-20-16)21-8-6-13(11-21)10-18-14-5-3-4-7-17-14/h3-5,7,9,12-13H,2,6,8,10-11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyPEHPWFRDRGEDPH-ZDUSSCGKSA-N
MW299.38 g/mol
LogP2.21
Rot. Bonds6

About N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine

N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 99638683) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID99638683
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCCOc1cc(N2CC[C@@H](CNc3ccccn3)C2)ncn1
InChIInChI=1S/C16H21N5O/c1-2-22-16-9-15(19-12-20-16)21-8-6-13(11-21)10-18-14-5-3-4-7-17-14/h3-5,7,9,12-13H,2,6,8,10-11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyPEHPWFRDRGEDPH-ZDUSSCGKSA-N
XLogP2.21
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide
CID 99614878
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 86798079
N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 86773701
6-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63591478
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
N-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 133360814
N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 122147269
N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95137123
1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 86797858
5-chloro-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]benzonitrile
CID 133286080
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 99638683) is N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine is CCOc1cc(N2CC[C@@H](CNc3ccccn3)C2)ncn1.
What is the InChIKey of N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is PEHPWFRDRGEDPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-22-16-9-15(19-12-20-16)21-8-6-13(11-21)10-18-14-5-3-4-7-17-14/h3-5,7,9,12-13H,2,6,8,10-11H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 99638683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).