4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

C11H19N3O2 — CID 66326883

IUPAC4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCOc1ncnc(NCC(C)CCO)c1C
InChIInChI=1S/C11H19N3O2/c1-8(4-5-15)6-12-10-9(2)11(16-3)14-7-13-10/h7-8,15H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyMFXSWQJBXDJBBY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.22
Rot. Bonds6

About 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 66326883) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID66326883
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCOc1ncnc(NCC(C)CCO)c1C
InChIInChI=1S/C11H19N3O2/c1-8(4-5-15)6-12-10-9(2)11(16-3)14-7-13-10/h7-8,15H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyMFXSWQJBXDJBBY-UHFFFAOYSA-N
XLogP1.22
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162116
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-3-methylbutan-1-ol
CID 66092673
6-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-4-methylhexanoic acid
CID 66331320
5-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 82017186
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115794
N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66326139
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]acetamide
CID 66327451
3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
CID 66106208
N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 66325411

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 66326883) is 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is COc1ncnc(NCC(C)CCO)c1C.
What is the InChIKey of 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is MFXSWQJBXDJBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(4-5-15)6-12-10-9(2)11(16-3)14-7-13-10/h7-8,15H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 66326883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).