1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol

C12H21N3O2 — CID 114600677

IUPAC1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCOc1cnc(NCC(C)(O)CC(C)C)nc1
InChIInChI=1S/C12H21N3O2/c1-9(2)5-12(3,16)8-15-11-13-6-10(17-4)7-14-11/h6-7,9,16H,5,8H2,1-4H3,(H,13,14,15)
InChIKeyNFISLKYARIYWEZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.69
Rot. Bonds6

About 1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol

1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 114600677) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID114600677
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCOc1cnc(NCC(C)(O)CC(C)C)nc1
InChIInChI=1S/C12H21N3O2/c1-9(2)5-12(3,16)8-15-11-13-6-10(17-4)7-14-11/h6-7,9,16H,5,8H2,1-4H3,(H,13,14,15)
InChIKeyNFISLKYARIYWEZ-UHFFFAOYSA-N
XLogP1.69
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 116648440
1-[(5-aminopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 66180510
5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 114600318
1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114600511
2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol
CID 114273441
5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine
CID 114600442
3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278290
2-[(2-hydroxy-2,4-dimethylpentyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 114093632
2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 80851320
1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol
CID 106539008
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66180990
2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol
CID 133403070

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol (CID 114600677) is 1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol is COc1cnc(NCC(C)(O)CC(C)C)nc1.
What is the InChIKey of 1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is NFISLKYARIYWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)5-12(3,16)8-15-11-13-6-10(17-4)7-14-11/h6-7,9,16H,5,8H2,1-4H3,(H,13,14,15).
What are the key properties of 1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 114600677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).