3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol

C19H26N6O — CID 91784992

IUPAC3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NC2CCN(Cc3ccccn3)CC2)cc(C2CC(O)C2)n1
InChIInChI=1S/C19H26N6O/c20-19-23-17(13-9-16(26)10-13)11-18(24-19)22-14-4-7-25(8-5-14)12-15-3-1-2-6-21-15/h1-3,6,11,13-14,16,26H,4-5,7-10,12H2,(H3,20,22,23,24)
InChIKeyFUQLJRAVKDDRBQ-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.77
Rot. Bonds5

About 3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91784992) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91784992
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NC2CCN(Cc3ccccn3)CC2)cc(C2CC(O)C2)n1
InChIInChI=1S/C19H26N6O/c20-19-23-17(13-9-16(26)10-13)11-18(24-19)22-14-4-7-25(8-5-14)12-15-3-1-2-6-21-15/h1-3,6,11,13-14,16,26H,4-5,7-10,12H2,(H3,20,22,23,24)
InChIKeyFUQLJRAVKDDRBQ-UHFFFAOYSA-N
XLogP1.77
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol with MolForge

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Related Compounds

6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 91786856
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,8-naphthyridin-2-amine
CID 167808422
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 66741584
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol
CID 75383150
3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119901353
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91784992) is 3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(NC2CCN(Cc3ccccn3)CC2)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is FUQLJRAVKDDRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c20-19-23-17(13-9-16(26)10-13)11-18(24-19)22-14-4-7-25(8-5-14)12-15-3-1-2-6-21-15/h1-3,6,11,13-14,16,26H,4-5,7-10,12H2,(H3,20,22,23,24).
What are the key properties of 3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 354.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91784992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).