4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine

C18H33N5 — CID 154463494

IUPAC4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
SMILESCC(C)CCNc1ccnc(NCCCN2CCCCC2C)n1
InChIInChI=1S/C18H33N5/c1-15(2)8-11-19-17-9-12-21-18(22-17)20-10-6-14-23-13-5-4-7-16(23)3/h9,12,15-16H,4-8,10-11,13-14H2,1-3H3,(H2,19,20,21,22)
InChIKeyZTFHKBURZFOSBD-UHFFFAOYSA-N
MW319.50 g/mol
LogP3.61
Rot. Bonds9

About 4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine

4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 154463494) has the molecular formula C18H33N5 and a molecular weight of 319.50 g/mol. Its IUPAC name is 4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
PubChem CID154463494
Molecular FormulaC18H33N5
Molecular Weight319.50 g/mol
Exact Mass319.27
IUPAC Name4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
SMILESCC(C)CCNc1ccnc(NCCCN2CCCCC2C)n1
InChIInChI=1S/C18H33N5/c1-15(2)8-11-19-17-9-12-21-18(22-17)20-10-6-14-23-13-5-4-7-16(23)3/h9,12,15-16H,4-8,10-11,13-14H2,1-3H3,(H2,19,20,21,22)
InChIKeyZTFHKBURZFOSBD-UHFFFAOYSA-N
XLogP3.61
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 53.61
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

4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 133383415
4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
CID 115974404
2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid
CID 107553233
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112882404
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261070
6-methoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261071
4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112883545
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine
CID 114448150
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine (CID 154463494) is 4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine is CC(C)CCNc1ccnc(NCCCN2CCCCC2C)n1.
What is the InChIKey of 4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is ZTFHKBURZFOSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5/c1-15(2)8-11-19-17-9-12-21-18(22-17)20-10-6-14-23-13-5-4-7-16(23)3/h9,12,15-16H,4-8,10-11,13-14H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine?
4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 319.50 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 154463494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).