2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide

C17H23N5O2 — CID 97114625

IUPAC2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1
InChIInChI=1S/C17H23N5O2/c1-2-18-17-20-10-13(11-21-17)16(23)19-12-14(15-6-5-9-24-15)22-7-3-4-8-22/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,19,23)(H,18,20,21)/t14-/m0/s1
InChIKeySBNIRCWSGBQTLE-AWEZNQCLSA-N
MW329.40 g/mol
LogP2.07
Rot. Bonds7

About 2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide (PubChem CID 97114625) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
PubChem CID97114625
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1
InChIInChI=1S/C17H23N5O2/c1-2-18-17-20-10-13(11-21-17)16(23)19-12-14(15-6-5-9-24-15)22-7-3-4-8-22/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,19,23)(H,18,20,21)/t14-/m0/s1
InChIKeySBNIRCWSGBQTLE-AWEZNQCLSA-N
XLogP2.07
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97148333
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 17490617
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74231099
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide
CID 95151089

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide (CID 97114625) is 2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide?
The InChIKey is SBNIRCWSGBQTLE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-18-17-20-10-13(11-21-17)16(23)19-12-14(15-6-5-9-24-15)22-7-3-4-8-22/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,19,23)(H,18,20,21)/t14-/m0/s1.
What are the key properties of 2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 97114625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).