formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine

C14H25N5O4 — CID 154915792

IUPACformic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(NC2CCN(C)C2)nc1N(C)C.O=CO.O=CO
InChIInChI=1S/C12H21N5.2CH2O2/c1-9-7-13-12(15-11(9)16(2)3)14-10-5-6-17(4)8-10;2*2-1-3/h7,10H,5-6,8H2,1-4H3,(H,13,14,15);2*1H,(H,2,3)
InChIKeyBAIPOQCELDGUBC-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.37
Rot. Bonds3

About formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine

formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine (PubChem CID 154915792) has the molecular formula C14H25N5O4 and a molecular weight of 327.39 g/mol. Its IUPAC name is formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Nameformic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
PubChem CID154915792
Molecular FormulaC14H25N5O4
Molecular Weight327.39 g/mol
Exact Mass327.19
IUPAC Nameformic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(NC2CCN(C)C2)nc1N(C)C.O=CO.O=CO
InChIInChI=1S/C12H21N5.2CH2O2/c1-9-7-13-12(15-11(9)16(2)3)14-10-5-6-17(4)8-10;2*2-1-3/h7,10H,5-6,8H2,1-4H3,(H,13,14,15);2*1H,(H,2,3)
InChIKeyBAIPOQCELDGUBC-UHFFFAOYSA-N
XLogP0.37
TPSA118.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine (CID 154915792) is formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine is Cc1cnc(NC2CCN(C)C2)nc1N(C)C.O=CO.O=CO.
What is the InChIKey of formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
The InChIKey is BAIPOQCELDGUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5.2CH2O2/c1-9-7-13-12(15-11(9)16(2)3)14-10-5-6-17(4)8-10;2*2-1-3/h7,10H,5-6,8H2,1-4H3,(H,13,14,15);2*1H,(H,2,3).
What are the key properties of formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine has a molecular weight of 327.39 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-N,4-N,5-trimethyl-2-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 154915792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).