3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol

C16H20N4O — CID 91763416

IUPAC3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cccnc1CN(C)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C16H20N4O/c1-11-4-3-5-17-15(11)9-20(2)16-8-14(18-10-19-16)12-6-13(21)7-12/h3-5,8,10,12-13,21H,6-7,9H2,1-2H3
InChIKeyJIXMKMGHUAVZRF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.05
Rot. Bonds4

About 3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91763416) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91763416
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cccnc1CN(C)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C16H20N4O/c1-11-4-3-5-17-15(11)9-20(2)16-8-14(18-10-19-16)12-6-13(21)7-12/h3-5,8,10,12-13,21H,6-7,9H2,1-2H3
InChIKeyJIXMKMGHUAVZRF-UHFFFAOYSA-N
XLogP2.05
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91763416) is 3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1cccnc1CN(C)c1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is JIXMKMGHUAVZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-4-3-5-17-15(11)9-20(2)16-8-14(18-10-19-16)12-6-13(21)7-12/h3-5,8,10,12-13,21H,6-7,9H2,1-2H3.
What are the key properties of 3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 284.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91763416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).