[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol

C12H14BrN3OS — CID 83183767

IUPAC[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N(C)Cc2cc(Br)cs2)ncc1CO
InChIInChI=1S/C12H14BrN3OS/c1-8-9(6-17)4-14-12(15-8)16(2)5-11-3-10(13)7-18-11/h3-4,7,17H,5-6H2,1-2H3
InChIKeyRVDQGROXKIFMEE-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.74
Rot. Bonds4

About [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol

[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol (PubChem CID 83183767) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol
PubChem CID83183767
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC Name[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N(C)Cc2cc(Br)cs2)ncc1CO
InChIInChI=1S/C12H14BrN3OS/c1-8-9(6-17)4-14-12(15-8)16(2)5-11-3-10(13)7-18-11/h3-4,7,17H,5-6H2,1-2H3
InChIKeyRVDQGROXKIFMEE-UHFFFAOYSA-N
XLogP2.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol
CID 22631159
(2-Thien-2-ylpyrimidin-5-yl)methanol
CID 24229731
(E)-3-fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol
CID 69917295
3-Fluoro-3-(4-pyrimidin-4-ylthiophen-2-yl)prop-2-en-1-ol
CID 69917297
[2-[(4-Bromothiophen-2-yl)methyl-methylamino]-5-fluoro-3-pyridinyl]methanol
CID 108067826
[2-(4-Bromothiophen-2-yl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 114204991
[2-(Thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 114205007
[3-[[4-(5-Bromothiophen-2-yl)pyrimidin-2-yl]amino]cyclohexa-1,3-dien-1-yl]methanol
CID 143454129
(3-bromothiophen-2-yl)-(2-propan-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanol;N,N-dipropylcyclobutanamine
CID 143595384
[6-[(4-Bromothiophen-2-yl)methyl-methylamino]-3-pyridinyl]methanol
CID 54984320
[2-[(4-Bromothiophen-2-yl)methyl-methylamino]-4-pyridinyl]methanol
CID 54984367
[6-[(5-Bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol
CID 54986955

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol (CID 83183767) is [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol is Cc1nc(N(C)Cc2cc(Br)cs2)ncc1CO.
What is the InChIKey of [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol?
The InChIKey is RVDQGROXKIFMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c1-8-9(6-17)4-14-12(15-8)16(2)5-11-3-10(13)7-18-11/h3-4,7,17H,5-6H2,1-2H3.
What are the key properties of [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol?
[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol has a molecular weight of 328.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83183767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).