[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone

C16H20N6O2 — CID 97483143

IUPAC[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
SMILESCC(C)Nc1ccnc([C@H]2COCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C16H20N6O2/c1-11(2)20-14-3-4-19-15(21-14)13-10-24-8-7-22(13)16(23)12-9-17-5-6-18-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,19,20,21)/t13-/m1/s1
InChIKeyHQUIRRHIWOZOJR-CYBMUJFWSA-N
MW328.38 g/mol
LogP1.30
Rot. Bonds4

About [(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone

[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone (PubChem CID 97483143) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is [(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
PubChem CID97483143
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
SMILESCC(C)Nc1ccnc([C@H]2COCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C16H20N6O2/c1-11(2)20-14-3-4-19-15(21-14)13-10-24-8-7-22(13)16(23)12-9-17-5-6-18-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,19,20,21)/t13-/m1/s1
InChIKeyHQUIRRHIWOZOJR-CYBMUJFWSA-N
XLogP1.30
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone (CID 97483143) is [(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone is CC(C)Nc1ccnc([C@H]2COCCN2C(=O)c2cnccn2)n1.
What is the InChIKey of [(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone?
The InChIKey is HQUIRRHIWOZOJR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11(2)20-14-3-4-19-15(21-14)13-10-24-8-7-22(13)16(23)12-9-17-5-6-18-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,19,20,21)/t13-/m1/s1.
What are the key properties of [(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone?
[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone has a molecular weight of 328.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97483143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).