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

C22H43N5 — CID 171070218

IUPAC2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane
SMILESCC.CC.CC.Cc1cnc(C2(N3CCN(CC4CNC4)CC3)CC2)nc1
InChIInChI=1S/C16H25N5.3C2H6/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;3*1-2/h8-9,14,17H,2-7,10-12H2,1H3;3*1-2H3
InChIKeyICAAKGQZKBTGAR-UHFFFAOYSA-N
MW377.62 g/mol
LogP3.69
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 171070218) has the molecular formula C22H43N5 and a molecular weight of 377.62 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 CID171070218
Molecular FormulaC22H43N5
Molecular Weight377.62 g/mol
Exact Mass377.35
IUPAC Name2-[1-[4-(azetidin-3-ylmethyl)piperazin-1-yl]cyclopropyl]-5-methylpyrimidine;ethane
SMILESCC.CC.CC.Cc1cnc(C2(N3CCN(CC4CNC4)CC3)CC2)nc1
InChIInChI=1S/C16H25N5.3C2H6/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;3*1-2/h8-9,14,17H,2-7,10-12H2,1H3;3*1-2H3
InChIKeyICAAKGQZKBTGAR-UHFFFAOYSA-N
XLogP3.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.62
LogP ≤ 53.69
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
5-Methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 86276657
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-[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
4-Amino-2-{[1-(piperidin-1-ylmethyl)cyclopropyl]amino}pyrimidine-5-carbonitrile formate
CID 124213666
2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 131943269
N-[(2-cyclopropylpyrimidin-5-yl)methyl]-3-methylcyclobutan-1-amine
CID 132362501
1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
CID 164636442

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 171070218) 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.CC.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 ICAAKGQZKBTGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5.3C2H6/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;3*1-2/h8-9,14,17H,2-7,10-12H2,1H3;3*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 377.62 g/mol, XLogP of 3.69, 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 171070218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).