(2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol

C13H22N4O — CID 91793754

IUPAC(2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESC[C@@H](CO)CCNc1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-9(7-18)2-3-15-13-6-12(16-8-17-13)10-4-11(14)5-10/h6,8-11,18H,2-5,7,14H2,1H3,(H,15,16,17)/t9-,10?,11?/m1/s1
InChIKeyQOSKXBHCMYWLRZ-KPPDAEKUSA-N
MW250.35 g/mol
LogP1.11
Rot. Bonds6

About (2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol

(2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol (PubChem CID 91793754) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
PubChem CID91793754
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESC[C@@H](CO)CCNc1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-9(7-18)2-3-15-13-6-12(16-8-17-13)10-4-11(14)5-10/h6,8-11,18H,2-5,7,14H2,1H3,(H,15,16,17)/t9-,10?,11?/m1/s1
InChIKeyQOSKXBHCMYWLRZ-KPPDAEKUSA-N
XLogP1.11
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol with MolForge

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Related Compounds

[2-Isobutoxy-6-(3-methyl-butyl)-pyrimidin-4-yl]-isobutylamine
CID 25129168
cis-3-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl}cyclobutanol
CID 91770488
3-[(4-Cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 56870630
(1-{[(6-Isopropylpyrimidin-4-YL)amino]methyl}cyclobutyl)methanol
CID 72839408
1-[(6-Ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72858727
1-[(6-Ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 72886771
(1-{[(6-Isopropylpyrimidin-4-YL)amino]methyl}cyclopentyl)methanol
CID 72894203
6-isopropyl-N~4~-{[1-(methoxymethyl)cyclopropyl]methyl}pyrimidine-2,4-diamine
CID 72915884
cis-3-[2-Amino-6-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl}amino)pyrimidin-4-yl]cyclobutanol
CID 91779721
3-(6-{[2-(Cyclohexylthio)ethyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91763246
2-[[6-Tert-butyl-2-(octylamino)pyrimidin-4-yl]-ethyl-amino]ethanol
CID 5276812
3-[6-({[1-(Methoxymethyl)cyclopentyl]methyl}amino)-2-methylpyrimidin-4-yl]cyclobutanol
CID 91761732

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The IUPAC name of (2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol (CID 91793754) is (2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The canonical SMILES for (2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol is C[C@@H](CO)CCNc1cc(C2CC(N)C2)ncn1.
What is the InChIKey of (2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The InChIKey is QOSKXBHCMYWLRZ-KPPDAEKUSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(7-18)2-3-15-13-6-12(16-8-17-13)10-4-11(14)5-10/h6,8-11,18H,2-5,7,14H2,1H3,(H,15,16,17)/t9-,10?,11?/m1/s1.
What are the key properties of (2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
(2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 91793754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).