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

C11H19N3O2 — CID 103858568

IUPAC5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
SMILESCOc1ccnc(NCCCC(C)CO)n1
InChIInChI=1S/C11H19N3O2/c1-9(8-15)4-3-6-12-11-13-7-5-10(14-11)16-2/h5,7,9,15H,3-4,6,8H2,1-2H3,(H,12,13,14)
InChIKeyYOMQBLCBEARQPY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.31
Rot. Bonds7

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

5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol (PubChem CID 103858568) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
PubChem CID103858568
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
SMILESCOc1ccnc(NCCCC(C)CO)n1
InChIInChI=1S/C11H19N3O2/c1-9(8-15)4-3-6-12-11-13-7-5-10(14-11)16-2/h5,7,9,15H,3-4,6,8H2,1-2H3,(H,12,13,14)
InChIKeyYOMQBLCBEARQPY-UHFFFAOYSA-N
XLogP1.31
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carboxylic acid
CID 106162730
2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carbonitrile
CID 106158675
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 114151108
N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 112683349
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 115637365
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 66089762
N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 65036818
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol (CID 103858568) is 5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol is COc1ccnc(NCCCC(C)CO)n1.
What is the InChIKey of 5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol?
The InChIKey is YOMQBLCBEARQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(8-15)4-3-6-12-11-13-7-5-10(14-11)16-2/h5,7,9,15H,3-4,6,8H2,1-2H3,(H,12,13,14).
What are the key properties of 5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol?
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 103858568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).