2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide

C21H31N5O2 — CID 134153167

IUPAC2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)C1CCCNC1
InChIInChI=1S/C21H31N5O2/c1-5-26(15-8-6-10-22-12-15)19(27)17-14-24-20(21(2,3)4)25-18(17)23-13-16-9-7-11-28-16/h7,9,11,14-15,22H,5-6,8,10,12-13H2,1-4H3,(H,23,24,25)
InChIKeyBKCJMJUNTPFDRN-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.19
Rot. Bonds6

About 2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide

2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide (PubChem CID 134153167) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide
PubChem CID134153167
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)C1CCCNC1
InChIInChI=1S/C21H31N5O2/c1-5-26(15-8-6-10-22-12-15)19(27)17-14-24-20(21(2,3)4)25-18(17)23-13-16-9-7-11-28-16/h7,9,11,14-15,22H,5-6,8,10,12-13H2,1-4H3,(H,23,24,25)
InChIKeyBKCJMJUNTPFDRN-UHFFFAOYSA-N
XLogP3.19
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-[(3R)-piperidin-3-yl]pyrimidine-5-carboxamide
CID 59625217
N-ethyl-4-(furan-2-ylmethylamino)-2-methyl-N-piperidin-4-ylpyrimidine-5-carboxamide;dihydrochloride
CID 134144122
4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide
CID 134141868
2-tert-butyl-4-(furan-2-ylmethylamino)-N-[(3R,5S)-5-hydrazinylpiperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 59625238
2-tert-butyl-N-[(3S,5R)-5-formamidopiperidin-3-yl]-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 89056934
2-tert-butyl-4-(furan-2-ylmethylamino)-N-[(3S,5R)-5-[(4-hydroxycyclohexanecarbonyl)amino]piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 59625560
2-tert-butyl-4-(furan-2-ylmethylamino)-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 70823911
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 59625202
2-tert-butyl-4-(furan-2-ylmethylamino)-N-[(5R)-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide;dihydrochloride
CID 158108789
2-tert-butyl-4-(furan-2-ylmethylamino)-N-[(5R)-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 59625613
tert-butyl 3-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-5-(1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate
CID 70823906
tert-butyl 3-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 70823950

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide (CID 134153167) is 2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)C1CCCNC1.
What is the InChIKey of 2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide?
The InChIKey is BKCJMJUNTPFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-5-26(15-8-6-10-22-12-15)19(27)17-14-24-20(21(2,3)4)25-18(17)23-13-16-9-7-11-28-16/h7,9,11,14-15,22H,5-6,8,10,12-13H2,1-4H3,(H,23,24,25).
What are the key properties of 2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide?
2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 134153167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).