2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine

C14H25N5 — CID 80831891

IUPAC2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCCCN2CCCC2)n1
InChIInChI=1S/C14H25N5/c1-3-15-14-17-11-12(2)13(18-14)16-7-6-10-19-8-4-5-9-19/h11H,3-10H2,1-2H3,(H2,15,16,17,18)
InChIKeyZAMLAHGRBCUNHR-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.11
Rot. Bonds7

About 2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 80831891) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
PubChem CID80831891
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCCCN2CCCC2)n1
InChIInChI=1S/C14H25N5/c1-3-15-14-17-11-12(2)13(18-14)16-7-6-10-19-8-4-5-9-19/h11H,3-10H2,1-2H3,(H2,15,16,17,18)
InChIKeyZAMLAHGRBCUNHR-UHFFFAOYSA-N
XLogP2.11
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327612
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 106014954
2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
CID 106042113
5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80914697
2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327339
1-[3-[[5-methyl-2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 21080354
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180
5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80801215
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
4-N-(3-imidazol-1-ylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753852
2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 114102554

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine (CID 80831891) is 2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine is CCNc1ncc(C)c(NCCCN2CCCC2)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is ZAMLAHGRBCUNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-15-14-17-11-12(2)13(18-14)16-7-6-10-19-8-4-5-9-19/h11H,3-10H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 263.39 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80831891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).