(3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol

C14H22N4O — CID 72925819

IUPAC(3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol
SMILESC[C@@H]1CN(c2nccc(N)n2)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C14H22N4O/c1-10-9-18(13-16-7-5-12(15)17-13)8-6-14(10,19)11-3-2-4-11/h5,7,10-11,19H,2-4,6,8-9H2,1H3,(H2,15,16,17)/t10-,14+/m1/s1
InChIKeyXKFDDXBJOABGCB-YGRLFVJLSA-N
MW262.36 g/mol
LogP1.44
Rot. Bonds2

About (3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol

(3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol (PubChem CID 72925819) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol
PubChem CID72925819
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol
SMILESC[C@@H]1CN(c2nccc(N)n2)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C14H22N4O/c1-10-9-18(13-16-7-5-12(15)17-13)8-6-14(10,19)11-3-2-4-11/h5,7,10-11,19H,2-4,6,8-9H2,1H3,(H2,15,16,17)/t10-,14+/m1/s1
InChIKeyXKFDDXBJOABGCB-YGRLFVJLSA-N
XLogP1.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 129271149
(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 90176650
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
CID 107229189
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 156550348
(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 165390561
2-[(6R)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine
CID 175798062
(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol
CID 156538363
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
CID 156538124
2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine
CID 126980763

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol (CID 72925819) is (3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol is C[C@@H]1CN(c2nccc(N)n2)CC[C@@]1(O)C1CCC1.
What is the InChIKey of (3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol?
The InChIKey is XKFDDXBJOABGCB-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-9-18(13-16-7-5-12(15)17-13)8-6-14(10,19)11-3-2-4-11/h5,7,10-11,19H,2-4,6,8-9H2,1H3,(H2,15,16,17)/t10-,14+/m1/s1.
What are the key properties of (3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol?
(3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol has a molecular weight of 262.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol is sourced from PubChem (CID 72925819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).