N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine

C15H26N6 — CID 126891791

IUPACN,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine
SMILESCN1CCN(C2CN(Cc3cnc(N(C)C)nc3)C2)CC1
InChIInChI=1S/C15H26N6/c1-18(2)15-16-8-13(9-17-15)10-20-11-14(12-20)21-6-4-19(3)5-7-21/h8-9,14H,4-7,10-12H2,1-3H3
InChIKeyQRTKUFKUUHRHHI-UHFFFAOYSA-N
MW290.42 g/mol
LogP-0.03
Rot. Bonds4

About N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine

N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 126891791) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID126891791
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC NameN,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine
SMILESCN1CCN(C2CN(Cc3cnc(N(C)C)nc3)C2)CC1
InChIInChI=1S/C15H26N6/c1-18(2)15-16-8-13(9-17-15)10-20-11-14(12-20)21-6-4-19(3)5-7-21/h8-9,14H,4-7,10-12H2,1-3H3
InChIKeyQRTKUFKUUHRHHI-UHFFFAOYSA-N
XLogP-0.03
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine (CID 126891791) is N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine is CN1CCN(C2CN(Cc3cnc(N(C)C)nc3)C2)CC1.
What is the InChIKey of N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is QRTKUFKUUHRHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-18(2)15-16-8-13(9-17-15)10-20-11-14(12-20)21-6-4-19(3)5-7-21/h8-9,14H,4-7,10-12H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine?
N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 290.42 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 126891791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).