[(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

C17H20N6O2 — CID 146186426

IUPAC[(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESC[C@H]1COCCN1C(=O)c1cnc(NC2(c3cncnc3)CC2)nc1
InChIInChI=1S/C17H20N6O2/c1-12-10-25-5-4-23(12)15(24)13-6-20-16(21-7-13)22-17(2-3-17)14-8-18-11-19-9-14/h6-9,11-12H,2-5,10H2,1H3,(H,20,21,22)/t12-/m0/s1
InChIKeyZTVNTXQGPBYGBG-LBPRGKRZSA-N
MW340.39 g/mol
LogP1.23
Rot. Bonds4

About [(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

[(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (PubChem CID 146186426) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
PubChem CID146186426
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESC[C@H]1COCCN1C(=O)c1cnc(NC2(c3cncnc3)CC2)nc1
InChIInChI=1S/C17H20N6O2/c1-12-10-25-5-4-23(12)15(24)13-6-20-16(21-7-13)22-17(2-3-17)14-8-18-11-19-9-14/h6-9,11-12H,2-5,10H2,1H3,(H,20,21,22)/t12-/m0/s1
InChIKeyZTVNTXQGPBYGBG-LBPRGKRZSA-N
XLogP1.23
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of [(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (CID 146186426) is [(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for [(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for [(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is C[C@H]1COCCN1C(=O)c1cnc(NC2(c3cncnc3)CC2)nc1.
What is the InChIKey of [(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is ZTVNTXQGPBYGBG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-10-25-5-4-23(12)15(24)13-6-20-16(21-7-13)22-17(2-3-17)14-8-18-11-19-9-14/h6-9,11-12H,2-5,10H2,1H3,(H,20,21,22)/t12-/m0/s1.
What are the key properties of [(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
[(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 340.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylmorpholin-4-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 146186426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).