3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

C12H21N3O — CID 103703947

IUPAC3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCc1cc(NC(CCO)C(C)C)nc(C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)11(5-6-16)15-12-7-9(3)13-10(4)14-12/h7-8,11,16H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyUXRBRYRKTDAAEI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.91
Rot. Bonds5

About 3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 103703947) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID103703947
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCc1cc(NC(CCO)C(C)C)nc(C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)11(5-6-16)15-12-7-9(3)13-10(4)14-12/h7-8,11,16H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyUXRBRYRKTDAAEI-UHFFFAOYSA-N
XLogP1.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352561
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114177062
2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
CID 106352536
2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol
CID 60725889
(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80923311
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103819994
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine
CID 106357683
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
CID 106358437
methyl 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6-methylpyrimidine-2-carboxylate
CID 79249417
4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 103764890
3-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylpentan-1-ol
CID 106358061
2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 114765995

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 103703947) is 3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is Cc1cc(NC(CCO)C(C)C)nc(C)n1.
What is the InChIKey of 3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is UXRBRYRKTDAAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)11(5-6-16)15-12-7-9(3)13-10(4)14-12/h7-8,11,16H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 103703947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).