2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane

C18H31N5 — CID 171069404

IUPAC2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane
SMILESCC.Cc1cnc(C2(N3CCN(CC4CNC4)CC3)CC2)nc1
InChIInChI=1S/C16H25N5.C2H6/c1-13-8-18-15(19-9-13)16(2-3-16)21-6-4-20(5-7-21)12-14-10-17-11-14;1-2/h8-9,14,17H,2-7,10-12H2,1H3;1-2H3
InChIKeyJWNNNMPRKFCGAG-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.64
Rot. Bonds4

About 2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane

2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane (PubChem CID 171069404) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane.

Molecular Properties

Compound Name2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane
PubChem CID171069404
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane
SMILESCC.Cc1cnc(C2(N3CCN(CC4CNC4)CC3)CC2)nc1
InChIInChI=1S/C16H25N5.C2H6/c1-13-8-18-15(19-9-13)16(2-3-16)21-6-4-20(5-7-21)12-14-10-17-11-14;1-2/h8-9,14,17H,2-7,10-12H2,1H3;1-2H3
InChIKeyJWNNNMPRKFCGAG-UHFFFAOYSA-N
XLogP1.64
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72859157
5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72928341
N-methyl-5-[[methyl(2-piperidin-1-ylethyl)amino]methyl]pyrimidin-2-amine
CID 73945372
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
5-Methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 86276657
[3-Methyl-1-(5-methylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 64021747
N,N-dimethyl-1-[2-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-2-yl]piperidin-4-amine
CID 72138323
5-ethyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72902480
5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72920787
5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine
CID 97115379
5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine
CID 97194897

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane?
The IUPAC name of 2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane (CID 171069404) is 2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane.
What is the SMILES notation for 2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane?
The canonical SMILES for 2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane is CC.Cc1cnc(C2(N3CCN(CC4CNC4)CC3)CC2)nc1.
What is the InChIKey of 2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane?
The InChIKey is JWNNNMPRKFCGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5.C2H6/c1-13-8-18-15(19-9-13)16(2-3-16)21-6-4-20(5-7-21)12-14-10-17-11-14;1-2/h8-9,14,17H,2-7,10-12H2,1H3;1-2H3.
What are the key properties of 2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane?
2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane has a molecular weight of 317.48 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane is sourced from PubChem (CID 171069404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).