(3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol

C11H18N4O — CID 72937590

IUPAC(3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol
SMILESC[C@@H]1CN(c2nccc(N)n2)CC[C@]1(C)O
InChIInChI=1S/C11H18N4O/c1-8-7-15(6-4-11(8,2)16)10-13-5-3-9(12)14-10/h3,5,8,16H,4,6-7H2,1-2H3,(H2,12,13,14)/t8-,11+/m1/s1
InChIKeyBIOVCDLLBHFUDJ-KCJUWKMLSA-N
MW222.29 g/mol
LogP0.66
Rot. Bonds1

About (3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol

(3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol (PubChem CID 72937590) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol
PubChem CID72937590
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol
SMILESC[C@@H]1CN(c2nccc(N)n2)CC[C@]1(C)O
InChIInChI=1S/C11H18N4O/c1-8-7-15(6-4-11(8,2)16)10-13-5-3-9(12)14-10/h3,5,8,16H,4,6-7H2,1-2H3,(H2,12,13,14)/t8-,11+/m1/s1
InChIKeyBIOVCDLLBHFUDJ-KCJUWKMLSA-N
XLogP0.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Pyrimidinyl)-4-piperidinemethanamine
CID 10631607
2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
CID 165129774
Tert-butyl 4-[[(2-aminopyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 49857007
1-(Pyrimidin-4-yl)piperidin-4-ol
CID 17959854
2-(4-Methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176595
(3R*,4R*)-3-methyl-1-[4-(methylamino)-2-pyrimidinyl]-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72853249
(3R*,4R*)-3-cyclopropyl-4-methyl-1-[4-(methylamino)-2-pyrimidinyl]-3-pyrrolidinol
CID 72858871
(4aR*,8aR*)-2-(2-aminopyrimidin-4-yl)-7-(methylsulfonyl)octahydro-2,7-naphthyridin-4a(2H)-ol
CID 72867402
[(3R*,4R*)-1-(2-amino-4-pyrimidinyl)-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol
CID 72890329
1-[3-(Pyrimidin-2-ylamino)propyl]piperidin-4-OL
CID 72897179
(3R*,4R*)-3-cyclobutyl-4-methyl-1-[4-(methylamino)-2-pyrimidinyl]-3-pyrrolidinol
CID 72912051
(4aR*,8aR*)-4a-hydroxy-N,N-dimethyl-7-pyrimidin-2-yloctahydro-2,7-naphthyridine-2(1H)-sulfonamide
CID 72932971

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol?
The IUPAC name of (3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol (CID 72937590) is (3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol is C[C@@H]1CN(c2nccc(N)n2)CC[C@]1(C)O.
What is the InChIKey of (3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol?
The InChIKey is BIOVCDLLBHFUDJ-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-7-15(6-4-11(8,2)16)10-13-5-3-9(12)14-10/h3,5,8,16H,4,6-7H2,1-2H3,(H2,12,13,14)/t8-,11+/m1/s1.
What are the key properties of (3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol?
(3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol has a molecular weight of 222.29 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-aminopyrimidin-2-yl)-3,4-dimethylpiperidin-4-ol is sourced from PubChem (CID 72937590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).