2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine

C13H23N5O — CID 103152125

IUPAC2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCOC(CN)CCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H23N5O/c1-19-12(11-14)3-6-17-7-9-18(10-8-17)13-15-4-2-5-16-13/h2,4-5,12H,3,6-11,14H2,1H3
InChIKeyOWYDEJRAVIHGOR-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.04
Rot. Bonds6

About 2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine

2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (PubChem CID 103152125) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
PubChem CID103152125
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCOC(CN)CCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H23N5O/c1-19-12(11-14)3-6-17-7-9-18(10-8-17)13-15-4-2-5-16-13/h2,4-5,12H,3,6-11,14H2,1H3
InChIKeyOWYDEJRAVIHGOR-UHFFFAOYSA-N
XLogP-0.04
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
2-(ethylamino)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
CID 63028337
N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 62575110
2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 171069848
3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43312455
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 3788798
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 86976676
3-methoxy-2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 62535879

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (CID 103152125) is 2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is COC(CN)CCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is OWYDEJRAVIHGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-19-12(11-14)3-6-17-7-9-18(10-8-17)13-15-4-2-5-16-13/h2,4-5,12H,3,6-11,14H2,1H3.
What are the key properties of 2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine has a molecular weight of 265.36 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 103152125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).