1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea

C19H27N5O3 — CID 11675165

IUPAC1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
SMILESCCNC(=O)N(c1ccc(OCC)cc1)c1ccnc(N[C@@H](C)COC)n1
InChIInChI=1S/C19H27N5O3/c1-5-20-19(25)24(15-7-9-16(10-8-15)27-6-2)17-11-12-21-18(23-17)22-14(3)13-26-4/h7-12,14H,5-6,13H2,1-4H3,(H,20,25)(H,21,22,23)/t14-/m0/s1
InChIKeyAKIFYLACUVFDBZ-AWEZNQCLSA-N
MW373.46 g/mol
LogP3.19
Rot. Bonds9

About 1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea

1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea (PubChem CID 11675165) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
PubChem CID11675165
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
SMILESCCNC(=O)N(c1ccc(OCC)cc1)c1ccnc(N[C@@H](C)COC)n1
InChIInChI=1S/C19H27N5O3/c1-5-20-19(25)24(15-7-9-16(10-8-15)27-6-2)17-11-12-21-18(23-17)22-14(3)13-26-4/h7-12,14H,5-6,13H2,1-4H3,(H,20,25)(H,21,22,23)/t14-/m0/s1
InChIKeyAKIFYLACUVFDBZ-AWEZNQCLSA-N
XLogP3.19
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea (CID 11675165) is 1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea is CCNC(=O)N(c1ccc(OCC)cc1)c1ccnc(N[C@@H](C)COC)n1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea?
The InChIKey is AKIFYLACUVFDBZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-5-20-19(25)24(15-7-9-16(10-8-15)27-6-2)17-11-12-21-18(23-17)22-14(3)13-26-4/h7-12,14H,5-6,13H2,1-4H3,(H,20,25)(H,21,22,23)/t14-/m0/s1.
What are the key properties of 1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea?
1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea has a molecular weight of 373.46 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea is sourced from PubChem (CID 11675165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).