N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride

C20H31Cl2N5O2 — CID 134148766

IUPACN-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride
SMILESCCN(C(=O)c1cnc(C(C)C)nc1NCc1ccco1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C20H29N5O2.2ClH/c1-4-25(15-7-5-9-21-11-15)20(26)17-13-23-18(14(2)3)24-19(17)22-12-16-8-6-10-27-16;;/h6,8,10,13-15,21H,4-5,7,9,11-12H2,1-3H3,(H,22,23,24);2*1H
InChIKeyLZWYNBQNIPHINN-UHFFFAOYSA-N
MW444.41 g/mol
LogP3.86
Rot. Bonds7

About N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride

N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride (PubChem CID 134148766) has the molecular formula C20H31Cl2N5O2 and a molecular weight of 444.41 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride
PubChem CID134148766
Molecular FormulaC20H31Cl2N5O2
Molecular Weight444.41 g/mol
Exact Mass443.19
IUPAC NameN-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride
SMILESCCN(C(=O)c1cnc(C(C)C)nc1NCc1ccco1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C20H29N5O2.2ClH/c1-4-25(15-7-5-9-21-11-15)20(26)17-13-23-18(14(2)3)24-19(17)22-12-16-8-6-10-27-16;;/h6,8,10,13-15,21H,4-5,7,9,11-12H2,1-3H3,(H,22,23,24);2*1H
InChIKeyLZWYNBQNIPHINN-UHFFFAOYSA-N
XLogP3.86
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.86
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}-[(3~{s})-Piperidin-3-Yl]pyrimidine-5-Carboxamide
CID 59625584
methyl (3R,5S)-5-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]piperidine-3-carboxylate
CID 59625306
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide;dihydrochloride
CID 68432286
Triazine-4-carboxamide, 11
CID 44520936
Triazine-4-carboxamide, 12
CID 44520937
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[(2-furanyl)methyl]-2-piperidineacetamide
CID 16115467
methyl (3S,5S)-5-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]piperidine-3-carboxylate
CID 59625336
methyl (3S,5R)-5-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]piperidine-3-carboxylate
CID 59625516
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-piperidin-3-ylpyrimidine-5-carboxamide;dihydrochloride
CID 68431518
N-butyl-2-tert-butyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide;dihydrochloride
CID 68432247
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-[(3R)-piperidin-3-yl]pyrimidine-5-carboxamide;dihydrochloride
CID 68432392
2-tert-butyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-N-propylpyrimidine-5-carboxamide;dihydrochloride
CID 68433634

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride?
The IUPAC name of N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride (CID 134148766) is N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride?
The canonical SMILES for N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride is CCN(C(=O)c1cnc(C(C)C)nc1NCc1ccco1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride?
The InChIKey is LZWYNBQNIPHINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2.2ClH/c1-4-25(15-7-5-9-21-11-15)20(26)17-13-23-18(14(2)3)24-19(17)22-12-16-8-6-10-27-16;;/h6,8,10,13-15,21H,4-5,7,9,11-12H2,1-3H3,(H,22,23,24);2*1H.
What are the key properties of N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride?
N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride has a molecular weight of 444.41 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-2-propan-2-ylpyrimidine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 134148766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).