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

C15H27N5 — CID 133383415

IUPAC4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
SMILESCC1CCCCN1CCCNc1nccc(N(C)C)n1
InChIInChI=1S/C15H27N5/c1-13-7-4-5-11-20(13)12-6-9-16-15-17-10-8-14(18-15)19(2)3/h8,10,13H,4-7,9,11-12H2,1-3H3,(H,16,17,18)
InChIKeySXZHMVWHUPYMMX-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.22
Rot. Bonds6

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

4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 133383415) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
PubChem CID133383415
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
SMILESCC1CCCCN1CCCNc1nccc(N(C)C)n1
InChIInChI=1S/C15H27N5/c1-13-7-4-5-11-20(13)12-6-9-16-15-17-10-8-14(18-15)19(2)3/h8,10,13H,4-7,9,11-12H2,1-3H3,(H,16,17,18)
InChIKeySXZHMVWHUPYMMX-UHFFFAOYSA-N
XLogP2.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 154463494
5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine
CID 114448150
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133381871
3-N,3-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazine-2,3-diamine
CID 135103231
N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914239
N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 65271137
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine
CID 62857307

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine (CID 133383415) is 4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine is CC1CCCCN1CCCNc1nccc(N(C)C)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is SXZHMVWHUPYMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-13-7-4-5-11-20(13)12-6-9-16-15-17-10-8-14(18-15)19(2)3/h8,10,13H,4-7,9,11-12H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 133383415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).