3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol

C16H26N4O2 — CID 91760801

IUPAC3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(CCCN1CCOCC1)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C16H26N4O2/c1-19(3-2-4-20-5-7-22-8-6-20)16-11-15(17-12-18-16)13-9-14(21)10-13/h11-14,21H,2-10H2,1H3
InChIKeyXBLSRDNFJBUTHS-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.87
Rot. Bonds6

About 3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91760801) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91760801
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(CCCN1CCOCC1)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C16H26N4O2/c1-19(3-2-4-20-5-7-22-8-6-20)16-11-15(17-12-18-16)13-9-14(21)10-13/h11-14,21H,2-10H2,1H3
InChIKeyXBLSRDNFJBUTHS-UHFFFAOYSA-N
XLogP0.87
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91760801) is 3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is CN(CCCN1CCOCC1)c1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is XBLSRDNFJBUTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19(3-2-4-20-5-7-22-8-6-20)16-11-15(17-12-18-16)13-9-14(21)10-13/h11-14,21H,2-10H2,1H3.
What are the key properties of 3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 306.41 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[methyl(3-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91760801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).