4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine

C11H22N6 — CID 149162525

IUPAC4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CCNCC2)C=CN1
InChIInChI=1S/C11H22N6/c12-10-15-4-3-11(13,16-10)2-1-7-17-8-5-14-6-9-17/h3-4,14H,1-2,5-9,13H2,(H3,12,15,16)
InChIKeyFLNYQKZVIUGZLE-UHFFFAOYSA-N
MW238.34 g/mol
LogP-1.24
Rot. Bonds4

About 4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine

4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine (PubChem CID 149162525) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
PubChem CID149162525
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CCNCC2)C=CN1
InChIInChI=1S/C11H22N6/c12-10-15-4-3-11(13,16-10)2-1-7-17-8-5-14-6-9-17/h3-4,14H,1-2,5-9,13H2,(H3,12,15,16)
InChIKeyFLNYQKZVIUGZLE-UHFFFAOYSA-N
XLogP-1.24
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine
CID 69052223
4-ethyl-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152324885
4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 152770704
4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine
CID 152780815
4-(4-methylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
CID 153525528
4-ethyl-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 153836413
4-methyl-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 153884651
4-ethyl-2-N-methyl-2-N-piperidin-4-yl-1H-pyrimidine-2,4-diamine
CID 153898678
2-N,4-N,4-trimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,4-diamine
CID 153898682
4-butyl-2-N-methyl-2-N-piperidin-4-yl-1H-pyrimidine-2,4-diamine
CID 153898687
4-piperidin-4-yl-1H-pyrimidine-2,4-diamine
CID 153927811
4-Methyl-2-piperidin-3-ylimino-1,3-dihydropyrimidin-4-amine
CID 153990800

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine (CID 149162525) is 4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(CCCN2CCNCC2)C=CN1.
What is the InChIKey of 4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is FLNYQKZVIUGZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c12-10-15-4-3-11(13,16-10)2-1-7-17-8-5-14-6-9-17/h3-4,14H,1-2,5-9,13H2,(H3,12,15,16).
What are the key properties of 4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 238.34 g/mol, XLogP of -1.24, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 149162525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).