morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

C16H18N6O2 — CID 134177712

IUPACmorpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCOCC1
InChIInChI=1S/C16H18N6O2/c23-14(22-3-5-24-6-4-22)12-7-19-15(20-8-12)21-16(1-2-16)13-9-17-11-18-10-13/h7-11H,1-6H2,(H,19,20,21)
InChIKeyIFJNKBDPJZOCBB-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.84
Rot. Bonds4

About morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (PubChem CID 134177712) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
PubChem CID134177712
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Namemorpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCOCC1
InChIInChI=1S/C16H18N6O2/c23-14(22-3-5-24-6-4-22)12-7-19-15(20-8-12)21-16(1-2-16)13-9-17-11-18-10-13/h7-11H,1-6H2,(H,19,20,21)
InChIKeyIFJNKBDPJZOCBB-UHFFFAOYSA-N
XLogP0.84
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (CID 134177712) is morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is O=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is IFJNKBDPJZOCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-14(22-3-5-24-6-4-22)12-7-19-15(20-8-12)21-16(1-2-16)13-9-17-11-18-10-13/h7-11H,1-6H2,(H,19,20,21).
What are the key properties of morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 134177712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).