N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine

C12H23N5 — CID 173123556

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine
SMILESCN1CCN(CCCNC2=NCC=CN2)CC1
InChIInChI=1S/C12H23N5/c1-16-8-10-17(11-9-16)7-3-6-15-12-13-4-2-5-14-12/h2,4H,3,5-11H2,1H3,(H2,13,14,15)
InChIKeyLOPTUGYHYRBGLF-UHFFFAOYSA-N
MW237.35 g/mol
LogP-0.31
Rot. Bonds4

About N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine

N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine (PubChem CID 173123556) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine
PubChem CID173123556
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine
SMILESCN1CCN(CCCNC2=NCC=CN2)CC1
InChIInChI=1S/C12H23N5/c1-16-8-10-17(11-9-16)7-3-6-15-12-13-4-2-5-14-12/h2,4H,3,5-11H2,1H3,(H2,13,14,15)
InChIKeyLOPTUGYHYRBGLF-UHFFFAOYSA-N
XLogP-0.31
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-0.31
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine (CID 173123556) is N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine is CN1CCN(CCCNC2=NCC=CN2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine?
The InChIKey is LOPTUGYHYRBGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-16-8-10-17(11-9-16)7-3-6-15-12-13-4-2-5-14-12/h2,4H,3,5-11H2,1H3,(H2,13,14,15).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine?
N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine has a molecular weight of 237.35 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 173123556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).