5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine

C16H29N4O5P — CID 11474712

IUPAC5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine
SMILESCC(C)OP(=O)(COCCOc1nc(N)nc(N)c1C1CC1)OC(C)C
InChIInChI=1S/C16H29N4O5P/c1-10(2)24-26(21,25-11(3)4)9-22-7-8-23-15-13(12-5-6-12)14(17)19-16(18)20-15/h10-12H,5-9H2,1-4H3,(H4,17,18,19,20)
InChIKeyZCFGTTIZVOKHEH-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.91
Rot. Bonds11

About 5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine

5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine (PubChem CID 11474712) has the molecular formula C16H29N4O5P and a molecular weight of 388.41 g/mol. Its IUPAC name is 5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine
PubChem CID11474712
Molecular FormulaC16H29N4O5P
Molecular Weight388.41 g/mol
Exact Mass388.19
IUPAC Name5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine
SMILESCC(C)OP(=O)(COCCOc1nc(N)nc(N)c1C1CC1)OC(C)C
InChIInChI=1S/C16H29N4O5P/c1-10(2)24-26(21,25-11(3)4)9-22-7-8-23-15-13(12-5-6-12)14(17)19-16(18)20-15/h10-12H,5-9H2,1-4H3,(H4,17,18,19,20)
InChIKeyZCFGTTIZVOKHEH-UHFFFAOYSA-N
XLogP2.91
TPSA131.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine (CID 11474712) is 5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine is CC(C)OP(=O)(COCCOc1nc(N)nc(N)c1C1CC1)OC(C)C.
What is the InChIKey of 5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine?
The InChIKey is ZCFGTTIZVOKHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N4O5P/c1-10(2)24-26(21,25-11(3)4)9-22-7-8-23-15-13(12-5-6-12)14(17)19-16(18)20-15/h10-12H,5-9H2,1-4H3,(H4,17,18,19,20).
What are the key properties of 5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine?
5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine has a molecular weight of 388.41 g/mol, XLogP of 2.91, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 11474712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).