5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine

C10H18N4O — CID 21412792

IUPAC5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCCCOc1cnc(N)nc1N(C)C
InChIInChI=1S/C10H18N4O/c1-4-5-6-15-8-7-12-10(11)13-9(8)14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyWNOVSBWUCYYLBL-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.30
Rot. Bonds5

About 5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine

5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 21412792) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID21412792
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCCCOc1cnc(N)nc1N(C)C
InChIInChI=1S/C10H18N4O/c1-4-5-6-15-8-7-12-10(11)13-9(8)14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyWNOVSBWUCYYLBL-UHFFFAOYSA-N
XLogP1.30
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-butoxy-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 11403887
(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol
CID 130353425
5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine
CID 102536146
4-tert-butyl-5-(2-methoxyethoxy)pyrimidin-2-amine
CID 165484905
ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate
CID 70856475
5-[(4-heptoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10335810
5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71377421
2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 625492
5-[(4-butoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine
CID 13112761
4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80796019
2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine
CID 80861351
4-(2-butoxyethoxy)pyrimidin-2-amine
CID 80861687

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 21412792) is 5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine is CCCCOc1cnc(N)nc1N(C)C.
What is the InChIKey of 5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is WNOVSBWUCYYLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-5-6-15-8-7-12-10(11)13-9(8)14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13).
What are the key properties of 5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine?
5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 21412792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).