4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine

C14H27N5O — CID 80825153

IUPAC4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCN(C)CCOC
InChIInChI=1S/C14H27N5O/c1-5-6-12-13(15-2)17-11-18-14(12)16-7-8-19(3)9-10-20-4/h11H,5-10H2,1-4H3,(H2,15,16,17,18)
InChIKeyFFWPJKYSMFALIK-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.46
Rot. Bonds10

About 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80825153) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80825153
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCN(C)CCOC
InChIInChI=1S/C14H27N5O/c1-5-6-12-13(15-2)17-11-18-14(12)16-7-8-19(3)9-10-20-4/h11H,5-10H2,1-4H3,(H2,15,16,17,18)
InChIKeyFFWPJKYSMFALIK-UHFFFAOYSA-N
XLogP1.46
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80812797
6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804395
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264
N-(3-chloropyrazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62849226
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80833362
4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80795868
5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80778803
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424218
N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 63734589

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80825153) is 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCCN(C)CCOC.
What is the InChIKey of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is FFWPJKYSMFALIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-5-6-12-13(15-2)17-11-18-14(12)16-7-8-19(3)9-10-20-4/h11H,5-10H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 281.40 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80825153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).