4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine

C16H30N4O — CID 80787048

IUPAC4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(CCOC)c1ncnc(NC)c1C(C)C
InChIInChI=1S/C16H30N4O/c1-7-13(8-2)20(9-10-21-6)16-14(12(3)4)15(17-5)18-11-19-16/h11-13H,7-10H2,1-6H3,(H,17,18,19)
InChIKeyQYCJNUHQSPOZDZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.28
Rot. Bonds9

About 4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80787048) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80787048
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(CCOC)c1ncnc(NC)c1C(C)C
InChIInChI=1S/C16H30N4O/c1-7-13(8-2)20(9-10-21-6)16-14(12(3)4)15(17-5)18-11-19-16/h11-13H,7-10H2,1-6H3,(H,17,18,19)
InChIKeyQYCJNUHQSPOZDZ-UHFFFAOYSA-N
XLogP3.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine
CID 63728997
6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837463
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80765370
4-N-(2-methoxyethyl)-5-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 82952827
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249
4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80795868
6-N-methyl-4-N-(3-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804161
5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol
CID 107207555
N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
CID 106918543
N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine
CID 83122101
6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804395
4-N-(2-methoxyethyl)-5-nitro-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 82942896

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80787048) is 4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine is CCC(CC)N(CCOC)c1ncnc(NC)c1C(C)C.
What is the InChIKey of 4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is QYCJNUHQSPOZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-13(8-2)20(9-10-21-6)16-14(12(3)4)15(17-5)18-11-19-16/h11-13H,7-10H2,1-6H3,(H,17,18,19).
What are the key properties of 4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80787048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).