[(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol

C10H14IN3O2 — CID 126485957

IUPAC[(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol
SMILESCc1nc(I)cc(N2CCO[C@H](CO)C2)n1
InChIInChI=1S/C10H14IN3O2/c1-7-12-9(11)4-10(13-7)14-2-3-16-8(5-14)6-15/h4,8,15H,2-3,5-6H2,1H3/t8-/m0/s1
InChIKeyYLDUOTMMZGKJDA-QMMMGPOBSA-N
MW335.15 g/mol
LogP0.59
Rot. Bonds2

About [(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol

[(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol (PubChem CID 126485957) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is [(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol
PubChem CID126485957
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name[(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol
SMILESCc1nc(I)cc(N2CCO[C@H](CO)C2)n1
InChIInChI=1S/C10H14IN3O2/c1-7-12-9(11)4-10(13-7)14-2-3-16-8(5-14)6-15/h4,8,15H,2-3,5-6H2,1H3/t8-/m0/s1
InChIKeyYLDUOTMMZGKJDA-QMMMGPOBSA-N
XLogP0.59
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
CID 81218197
[4-(2,6-diaminopyrimidin-4-yl)morpholin-2-yl]methanol
CID 81217236
4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine
CID 62482337
[4-(6-amino-2-ethylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 81218623
[(2S)-4-[2-methyl-6-[5-methyl-6-(oxan-3-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485704
[2-(2-ethylmorpholin-4-yl)-6-methyl-4-pyridinyl]methanol
CID 113378726
2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965265
[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485740
[4-[4-[(1R)-1-aminoethyl]-2-pyridinyl]morpholin-2-yl]methanol
CID 81205057
[4-(6-amino-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 115915735
[4-(6-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 106973462
[4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol
CID 130540472

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol?
The IUPAC name of [(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol (CID 126485957) is [(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol?
The canonical SMILES for [(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol is Cc1nc(I)cc(N2CCO[C@H](CO)C2)n1.
What is the InChIKey of [(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol?
The InChIKey is YLDUOTMMZGKJDA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-7-12-9(11)4-10(13-7)14-2-3-16-8(5-14)6-15/h4,8,15H,2-3,5-6H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol?
[(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol has a molecular weight of 335.15 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(6-iodo-2-methylpyrimidin-4-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 126485957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).