5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine

C16H29N5 — CID 83185525

IUPAC5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine
SMILESCCNCc1cnc(N(C)CC2CCCN2CC)nc1C
InChIInChI=1S/C16H29N5/c1-5-17-10-14-11-18-16(19-13(14)3)20(4)12-15-8-7-9-21(15)6-2/h11,15,17H,5-10,12H2,1-4H3
InChIKeyJRTJCAXRRFJOEH-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.82
Rot. Bonds7

About 5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine

5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 83185525) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine
PubChem CID83185525
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine
SMILESCCNCc1cnc(N(C)CC2CCCN2CC)nc1C
InChIInChI=1S/C16H29N5/c1-5-17-10-14-11-18-16(19-13(14)3)20(4)12-15-8-7-9-21(15)6-2/h11,15,17H,5-10,12H2,1-4H3
InChIKeyJRTJCAXRRFJOEH-UHFFFAOYSA-N
XLogP1.82
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105390101
3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79311002
N-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83189085
4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine
CID 79315342
5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80847973
N-(cyclohexylmethyl)-N,4-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83186072
6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80848598
5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine
CID 83186463
N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine
CID 83185537
3-chloro-2-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79310972
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine (CID 83185525) is 5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine is CCNCc1cnc(N(C)CC2CCCN2CC)nc1C.
What is the InChIKey of 5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is JRTJCAXRRFJOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-17-10-14-11-18-16(19-13(14)3)20(4)12-15-8-7-9-21(15)6-2/h11,15,17H,5-10,12H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine?
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 291.44 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 83185525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).