3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide

C19H33N5O — CID 95102952

IUPAC3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide
SMILESCCNc1cc(N2CCC[C@H](CCC(=O)NCCC(C)C)C2)ncn1
InChIInChI=1S/C19H33N5O/c1-4-20-17-12-18(23-14-22-17)24-11-5-6-16(13-24)7-8-19(25)21-10-9-15(2)3/h12,14-16H,4-11,13H2,1-3H3,(H,21,25)(H,20,22,23)/t16-/m1/s1
InChIKeyGNTDQZZCWHCRMB-MRXNPFEDSA-N
MW347.51 g/mol
LogP3.07
Rot. Bonds9

About 3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide

3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide (PubChem CID 95102952) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide
PubChem CID95102952
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide
SMILESCCNc1cc(N2CCC[C@H](CCC(=O)NCCC(C)C)C2)ncn1
InChIInChI=1S/C19H33N5O/c1-4-20-17-12-18(23-14-22-17)24-11-5-6-16(13-24)7-8-19(25)21-10-9-15(2)3/h12,14-16H,4-11,13H2,1-3H3,(H,21,25)(H,20,22,23)/t16-/m1/s1
InChIKeyGNTDQZZCWHCRMB-MRXNPFEDSA-N
XLogP3.07
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95102904
3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 95103024
3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 95103081
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide
CID 53174507
N-[(4-chlorophenyl)methyl]-3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95103026
N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 98749562
N-butan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 53174251
3-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propan-2-ylpropanamide
CID 129369239
3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 98749572
tert-butyl 4-[3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanoyl]piperazine-1-carboxylate
CID 95103020
tert-butyl 4-[3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanoyl]piperazine-1-carboxylate
CID 95103021
3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 95102979

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide (CID 95102952) is 3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide is CCNc1cc(N2CCC[C@H](CCC(=O)NCCC(C)C)C2)ncn1.
What is the InChIKey of 3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is GNTDQZZCWHCRMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H33N5O/c1-4-20-17-12-18(23-14-22-17)24-11-5-6-16(13-24)7-8-19(25)21-10-9-15(2)3/h12,14-16H,4-11,13H2,1-3H3,(H,21,25)(H,20,22,23)/t16-/m1/s1.
What are the key properties of 3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide?
3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 347.51 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 95102952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).