1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea

C17H24N6O2 — CID 94172073

IUPAC1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
SMILESO=C(NCCNc1ncccn1)NC[C@H](c1ccco1)N1CCCC1
InChIInChI=1S/C17H24N6O2/c24-17(21-9-8-20-16-18-6-4-7-19-16)22-13-14(15-5-3-12-25-15)23-10-1-2-11-23/h3-7,12,14H,1-2,8-11,13H2,(H,18,19,20)(H2,21,22,24)/t14-/m1/s1
InChIKeyKVGBMLFVNMWXGN-CQSZACIVSA-N
MW344.42 g/mol
LogP1.62
Rot. Bonds8

About 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea

1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea (PubChem CID 94172073) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
PubChem CID94172073
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
SMILESO=C(NCCNc1ncccn1)NC[C@H](c1ccco1)N1CCCC1
InChIInChI=1S/C17H24N6O2/c24-17(21-9-8-20-16-18-6-4-7-19-16)22-13-14(15-5-3-12-25-15)23-10-1-2-11-23/h3-7,12,14H,1-2,8-11,13H2,(H,18,19,20)(H2,21,22,24)/t14-/m1/s1
InChIKeyKVGBMLFVNMWXGN-CQSZACIVSA-N
XLogP1.62
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-imidazol-1-ylethyl)urea
CID 95151616
1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 55769977
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-imidazol-1-ylpropyl)urea
CID 94017524
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 97114625
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 51291075
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea?
The IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea (CID 94172073) is 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea is O=C(NCCNc1ncccn1)NC[C@H](c1ccco1)N1CCCC1.
What is the InChIKey of 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea?
The InChIKey is KVGBMLFVNMWXGN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O2/c24-17(21-9-8-20-16-18-6-4-7-19-16)22-13-14(15-5-3-12-25-15)23-10-1-2-11-23/h3-7,12,14H,1-2,8-11,13H2,(H,18,19,20)(H2,21,22,24)/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea?
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea has a molecular weight of 344.42 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea is sourced from PubChem (CID 94172073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).