3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol

C14H20N6O — CID 91772332

IUPAC3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cnc(CN(C)c2cc(C3CC(O)C3)nc(N)n2)[nH]1
InChIInChI=1S/C14H20N6O/c1-8-6-16-12(17-8)7-20(2)13-5-11(18-14(15)19-13)9-3-10(21)4-9/h5-6,9-10,21H,3-4,7H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyGHPZGGUQCKWINI-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.97
Rot. Bonds4

About 3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91772332) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91772332
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cnc(CN(C)c2cc(C3CC(O)C3)nc(N)n2)[nH]1
InChIInChI=1S/C14H20N6O/c1-8-6-16-12(17-8)7-20(2)13-5-11(18-14(15)19-13)9-3-10(21)4-9/h5-6,9-10,21H,3-4,7H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyGHPZGGUQCKWINI-UHFFFAOYSA-N
XLogP0.97
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91772332) is 3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1cnc(CN(C)c2cc(C3CC(O)C3)nc(N)n2)[nH]1.
What is the InChIKey of 3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is GHPZGGUQCKWINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-8-6-16-12(17-8)7-20(2)13-5-11(18-14(15)19-13)9-3-10(21)4-9/h5-6,9-10,21H,3-4,7H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 288.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91772332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).