(5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one

C23H27N5O2 — CID 130469644

IUPAC(5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
SMILESCOc1ccc2cc([C@H](C)Nc3nccc(N4C(=O)NC[C@@H]4C(C)C)n3)ccc2c1
InChIInChI=1S/C23H27N5O2/c1-14(2)20-13-25-23(29)28(20)21-9-10-24-22(27-21)26-15(3)16-5-6-18-12-19(30-4)8-7-17(18)11-16/h5-12,14-15,20H,13H2,1-4H3,(H,25,29)(H,24,26,27)/t15-,20+/m0/s1
InChIKeyOSSPFWAUOQWUSL-MGPUTAFESA-N
MW405.50 g/mol
LogP4.37
Rot. Bonds6

About (5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one

(5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one (PubChem CID 130469644) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
PubChem CID130469644
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
SMILESCOc1ccc2cc([C@H](C)Nc3nccc(N4C(=O)NC[C@@H]4C(C)C)n3)ccc2c1
InChIInChI=1S/C23H27N5O2/c1-14(2)20-13-25-23(29)28(20)21-9-10-24-22(27-21)26-15(3)16-5-6-18-12-19(30-4)8-7-17(18)11-16/h5-12,14-15,20H,13H2,1-4H3,(H,25,29)(H,24,26,27)/t15-,20+/m0/s1
InChIKeyOSSPFWAUOQWUSL-MGPUTAFESA-N
XLogP4.37
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
The IUPAC name of (5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one (CID 130469644) is (5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one is COc1ccc2cc([C@H](C)Nc3nccc(N4C(=O)NC[C@@H]4C(C)C)n3)ccc2c1.
What is the InChIKey of (5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
The InChIKey is OSSPFWAUOQWUSL-MGPUTAFESA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14(2)20-13-25-23(29)28(20)21-9-10-24-22(27-21)26-15(3)16-5-6-18-12-19(30-4)8-7-17(18)11-16/h5-12,14-15,20H,13H2,1-4H3,(H,25,29)(H,24,26,27)/t15-,20+/m0/s1.
What are the key properties of (5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one?
(5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one has a molecular weight of 405.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 130469644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).