formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

C17H30N4O4 — CID 154918895

IUPACformic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESCCCc1cnc(C)nc1NCC(C)N1CCCC1.O=CO.O=CO
InChIInChI=1S/C15H26N4.2CH2O2/c1-4-7-14-11-16-13(3)18-15(14)17-10-12(2)19-8-5-6-9-19;2*2-1-3/h11-12H,4-10H2,1-3H3,(H,16,17,18);2*1H,(H,2,3)
InChIKeyUTLQQCTWTLFQID-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.04
Rot. Bonds6

About formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (PubChem CID 154918895) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Nameformic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
PubChem CID154918895
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Nameformic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESCCCc1cnc(C)nc1NCC(C)N1CCCC1.O=CO.O=CO
InChIInChI=1S/C15H26N4.2CH2O2/c1-4-7-14-11-16-13(3)18-15(14)17-10-12(2)19-8-5-6-9-19;2*2-1-3/h11-12H,4-10H2,1-3H3,(H,16,17,18);2*1H,(H,2,3)
InChIKeyUTLQQCTWTLFQID-UHFFFAOYSA-N
XLogP2.04
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The IUPAC name of formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (CID 154918895) is formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is CCCc1cnc(C)nc1NCC(C)N1CCCC1.O=CO.O=CO.
What is the InChIKey of formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The InChIKey is UTLQQCTWTLFQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4.2CH2O2/c1-4-7-14-11-16-13(3)18-15(14)17-10-12(2)19-8-5-6-9-19;2*2-1-3/h11-12H,4-10H2,1-3H3,(H,16,17,18);2*1H,(H,2,3).
What are the key properties of formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine has a molecular weight of 354.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-methyl-5-propyl-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 154918895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).