2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol

C10H15N3O — CID 107587633

IUPAC2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cncnc1
InChIInChI=1S/C10H15N3O/c1-10(2)8(3-9(10)14)13-7-4-11-6-12-5-7/h4-6,8-9,13-14H,3H2,1-2H3
InChIKeyFCZXZJQPDZFVKP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.05
Rot. Bonds2

About 2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol

2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol (PubChem CID 107587633) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol
PubChem CID107587633
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cncnc1
InChIInChI=1S/C10H15N3O/c1-10(2)8(3-9(10)14)13-7-4-11-6-12-5-7/h4-6,8-9,13-14H,3H2,1-2H3
InChIKeyFCZXZJQPDZFVKP-UHFFFAOYSA-N
XLogP1.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 103952292
2,2-dimethyl-3-[(6-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 112634209
2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol
CID 115972266
3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633168
3-(3,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633224
2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol
CID 112634249
3-[(6-hydrazinylpyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114633026
2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol
CID 112633683
3-(3-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628749
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632838

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol (CID 107587633) is 2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol is CC1(C)C(O)CC1Nc1cncnc1.
What is the InChIKey of 2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol?
The InChIKey is FCZXZJQPDZFVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2)8(3-9(10)14)13-7-4-11-6-12-5-7/h4-6,8-9,13-14H,3H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol?
2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol has a molecular weight of 193.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol is sourced from PubChem (CID 107587633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).