1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea

C12H19N5O2 — CID 138013425

IUPAC1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea
SMILESCCNC(=O)N[C@@H]1CCOC[C@@H]1Nc1ccncn1
InChIInChI=1S/C12H19N5O2/c1-2-14-12(18)17-9-4-6-19-7-10(9)16-11-3-5-13-8-15-11/h3,5,8-10H,2,4,6-7H2,1H3,(H,13,15,16)(H2,14,17,18)/t9-,10+/m1/s1
InChIKeyFKYBVQJDYAIGJD-ZJUUUORDSA-N
MW265.32 g/mol
LogP0.37
Rot. Bonds4

About 1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea

1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea (PubChem CID 138013425) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea
PubChem CID138013425
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea
SMILESCCNC(=O)N[C@@H]1CCOC[C@@H]1Nc1ccncn1
InChIInChI=1S/C12H19N5O2/c1-2-14-12(18)17-9-4-6-19-7-10(9)16-11-3-5-13-8-15-11/h3,5,8-10H,2,4,6-7H2,1H3,(H,13,15,16)(H2,14,17,18)/t9-,10+/m1/s1
InChIKeyFKYBVQJDYAIGJD-ZJUUUORDSA-N
XLogP0.37
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea with MolForge

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Related Compounds

N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
4-[(3R)-3-Aminopyrrolidin-1-yl]-N-(tetrahydro-2H-pyran-4-yl)pyrimidin-2-amine
CID 58227346
1-(1-Methoxypropan-2-yl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831205
N~4~-ethyl-N~2~-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide
CID 50974730
N~2~-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-N~4~-ethylpyrimidine-2,4-diamine
CID 50980405
1-(Oxolan-2-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51081506
1-(Oxolan-3-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51082770
N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51084923
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981393
N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72876657
2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 75423627

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea?
The IUPAC name of 1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea (CID 138013425) is 1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea.
What is the SMILES notation for 1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea?
The canonical SMILES for 1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea is CCNC(=O)N[C@@H]1CCOC[C@@H]1Nc1ccncn1.
What is the InChIKey of 1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea?
The InChIKey is FKYBVQJDYAIGJD-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-14-12(18)17-9-4-6-19-7-10(9)16-11-3-5-13-8-15-11/h3,5,8-10H,2,4,6-7H2,1H3,(H,13,15,16)(H2,14,17,18)/t9-,10+/m1/s1.
What are the key properties of 1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea?
1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea has a molecular weight of 265.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea is sourced from PubChem (CID 138013425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).