4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

C13H24N4O — CID 102701807

IUPAC4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCC(C)OC)c1C
InChIInChI=1S/C13H24N4O/c1-8(2)11-16-12(14-5)10(4)13(17-11)15-7-9(3)18-6/h8-9H,7H2,1-6H3,(H2,14,15,16,17)
InChIKeyDNBZPMQCQJHKEM-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.40
Rot. Bonds6

About 4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 102701807) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID102701807
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCC(C)OC)c1C
InChIInChI=1S/C13H24N4O/c1-8(2)11-16-12(14-5)10(4)13(17-11)15-7-9(3)18-6/h8-9H,7H2,1-6H3,(H2,14,15,16,17)
InChIKeyDNBZPMQCQJHKEM-UHFFFAOYSA-N
XLogP2.40
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 102701807) is 4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1nc(C(C)C)nc(NCC(C)OC)c1C.
What is the InChIKey of 4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is DNBZPMQCQJHKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-8(2)11-16-12(14-5)10(4)13(17-11)15-7-9(3)18-6/h8-9H,7H2,1-6H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 102701807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).