3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol

C11H17N3O — CID 114632838

IUPAC3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccnc(N)c1
InChIInChI=1S/C11H17N3O/c1-11(2)8(6-9(11)15)14-7-3-4-13-10(12)5-7/h3-5,8-9,15H,6H2,1-2H3,(H3,12,13,14)
InChIKeyOKQWBKWULNTSHD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.24
Rot. Bonds2

About 3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114632838) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114632838
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccnc(N)c1
InChIInChI=1S/C11H17N3O/c1-11(2)8(6-9(11)15)14-7-3-4-13-10(12)5-7/h3-5,8-9,15H,6H2,1-2H3,(H3,12,13,14)
InChIKeyOKQWBKWULNTSHD-UHFFFAOYSA-N
XLogP1.24
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567
3-(3-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628749
3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632842
2-amino-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzonitrile
CID 114628586
3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632839
2,2-dimethyl-3-[(6-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 112634209
3-(3-iodo-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633569
2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol
CID 112633683
2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine
CID 114270222
2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol
CID 112634249
3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633168

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114632838) is 3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1ccnc(N)c1.
What is the InChIKey of 3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is OKQWBKWULNTSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2)8(6-9(11)15)14-7-3-4-13-10(12)5-7/h3-5,8-9,15H,6H2,1-2H3,(H3,12,13,14).
What are the key properties of 3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 207.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114632838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).