N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine

C16H23N5O — CID 128977716

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1Nc1ccnc(C(C)C)n1
InChIInChI=1S/C16H23N5O/c1-4-21-9-8-18-16(21)14-12(6-10-22-14)19-13-5-7-17-15(20-13)11(2)3/h5,7-9,11-12,14H,4,6,10H2,1-3H3,(H,17,19,20)/t12-,14-/m0/s1
InChIKeyNXLZXRNZHZQVMM-JSGCOSHPSA-N
MW301.39 g/mol
LogP2.76
Rot. Bonds5

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 128977716) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID128977716
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1Nc1ccnc(C(C)C)n1
InChIInChI=1S/C16H23N5O/c1-4-21-9-8-18-16(21)14-12(6-10-22-14)19-13-5-7-17-15(20-13)11(2)3/h5,7-9,11-12,14H,4,6,10H2,1-3H3,(H,17,19,20)/t12-,14-/m0/s1
InChIKeyNXLZXRNZHZQVMM-JSGCOSHPSA-N
XLogP2.76
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine (CID 128977716) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine is CCn1ccnc1[C@H]1OCC[C@@H]1Nc1ccnc(C(C)C)n1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is NXLZXRNZHZQVMM-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-21-9-8-18-16(21)14-12(6-10-22-14)19-13-5-7-17-15(20-13)11(2)3/h5,7-9,11-12,14H,4,6,10H2,1-3H3,(H,17,19,20)/t12-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 128977716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).