5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine

C12H19ClN4 — CID 135100956

IUPAC5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCCN1CCCC1CNc1nc(C)ncc1Cl
InChIInChI=1S/C12H19ClN4/c1-3-17-6-4-5-10(17)7-15-12-11(13)8-14-9(2)16-12/h8,10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyWTHVYRLRCMGPHQ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.33
Rot. Bonds4

About 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine

5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 135100956) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID135100956
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCCN1CCCC1CNc1nc(C)ncc1Cl
InChIInChI=1S/C12H19ClN4/c1-3-17-6-4-5-10(17)7-15-12-11(13)8-14-9(2)16-12/h8,10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyWTHVYRLRCMGPHQ-UHFFFAOYSA-N
XLogP2.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 71611355
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80944201
6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288
5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 114138477
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80944062
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
2-chloro-6-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320516
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002
5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 143313007
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46280325

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine (CID 135100956) is 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine is CCN1CCCC1CNc1nc(C)ncc1Cl.
What is the InChIKey of 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is WTHVYRLRCMGPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-3-17-6-4-5-10(17)7-15-12-11(13)8-14-9(2)16-12/h8,10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine?
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 254.76 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 135100956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).