1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea

C15H23N5O2 — CID 94124059

IUPAC1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
SMILESO=C(NCCNc1ncccn1)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C15H23N5O2/c21-15(19-8-7-18-14-16-5-1-6-17-14)20(13-2-3-13)10-12-4-9-22-11-12/h1,5-6,12-13H,2-4,7-11H2,(H,19,21)(H,16,17,18)/t12-/m0/s1
InChIKeyFQWGHCSJNZQRFO-LBPRGKRZSA-N
MW305.38 g/mol
LogP1.10
Rot. Bonds7

About 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea

1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea (PubChem CID 94124059) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
PubChem CID94124059
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
SMILESO=C(NCCNc1ncccn1)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C15H23N5O2/c21-15(19-8-7-18-14-16-5-1-6-17-14)20(13-2-3-13)10-12-4-9-22-11-12/h1,5-6,12-13H,2-4,7-11H2,(H,19,21)(H,16,17,18)/t12-/m0/s1
InChIKeyFQWGHCSJNZQRFO-LBPRGKRZSA-N
XLogP1.10
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 47434717
3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 87003466
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 94030793
1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea
CID 95284187
1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 95124344
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007472
1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 56825447
3-[(1-benzylpyrazol-4-yl)methyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 87007523
1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 86999387

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea?
The IUPAC name of 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea (CID 94124059) is 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea is O=C(NCCNc1ncccn1)N(C[C@@H]1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea?
The InChIKey is FQWGHCSJNZQRFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-15(19-8-7-18-14-16-5-1-6-17-14)20(13-2-3-13)10-12-4-9-22-11-12/h1,5-6,12-13H,2-4,7-11H2,(H,19,21)(H,16,17,18)/t12-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea?
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea has a molecular weight of 305.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea is sourced from PubChem (CID 94124059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).