6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C12H20N4O2 — CID 66325980

IUPAC6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCOc1cc(NCCCN2CCOCC2)ncn1
InChIInChI=1S/C12H20N4O2/c1-17-12-9-11(14-10-15-12)13-3-2-4-16-5-7-18-8-6-16/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyDDZWMLZDKBOIDR-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.62
Rot. Bonds6

About 6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 66325980) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID66325980
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCOc1cc(NCCCN2CCOCC2)ncn1
InChIInChI=1S/C12H20N4O2/c1-17-12-9-11(14-10-15-12)13-3-2-4-16-5-7-18-8-6-16/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyDDZWMLZDKBOIDR-UHFFFAOYSA-N
XLogP0.62
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618
6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 82456613
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 117094011
2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
CID 82453993
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
CID 107846090
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 136956037
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66327743
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344547

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 66325980) is 6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is COc1cc(NCCCN2CCOCC2)ncn1.
What is the InChIKey of 6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is DDZWMLZDKBOIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-17-12-9-11(14-10-15-12)13-3-2-4-16-5-7-18-8-6-16/h9-10H,2-8H2,1H3,(H,13,14,15).
What are the key properties of 6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 66325980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).