4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine

C14H26N4O2 — CID 80955285

IUPAC4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(N(CCOC)CCOC)n1
InChIInChI=1S/C14H26N4O2/c1-5-6-12-16-13(15-2)11-14(17-12)18(7-9-19-3)8-10-20-4/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyKZNHNFZWGVLBTP-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.57
Rot. Bonds10

About 4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine

4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80955285) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80955285
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(N(CCOC)CCOC)n1
InChIInChI=1S/C14H26N4O2/c1-5-6-12-16-13(15-2)11-14(17-12)18(7-9-19-3)8-10-20-4/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyKZNHNFZWGVLBTP-UHFFFAOYSA-N
XLogP1.57
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine (CID 80955285) is 4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(N(CCOC)CCOC)n1.
What is the InChIKey of 4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is KZNHNFZWGVLBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-6-12-16-13(15-2)11-14(17-12)18(7-9-19-3)8-10-20-4/h11H,5-10H2,1-4H3,(H,15,16,17).
What are the key properties of 4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 1.57, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).