N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine

C14H20N4O — CID 165432113

IUPACN-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
SMILESCC#CCN1CCC(Nc2cc(OC)ncn2)CC1
InChIInChI=1S/C14H20N4O/c1-3-4-7-18-8-5-12(6-9-18)17-13-10-14(19-2)16-11-15-13/h10-12H,5-9H2,1-2H3,(H,15,16,17)
InChIKeyYXBFDKULPIOVST-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.38
Rot. Bonds4

About N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine

N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine (PubChem CID 165432113) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
PubChem CID165432113
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
SMILESCC#CCN1CCC(Nc2cc(OC)ncn2)CC1
InChIInChI=1S/C14H20N4O/c1-3-4-7-18-8-5-12(6-9-18)17-13-10-14(19-2)16-11-15-13/h10-12H,5-9H2,1-2H3,(H,15,16,17)
InChIKeyYXBFDKULPIOVST-UHFFFAOYSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888157
6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888167
6-methoxy-N-[1-[(2-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888112
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888174
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888085
1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
CID 126888227
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888037
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421

Frequently Asked Questions

What is the IUPAC name of N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine?
The IUPAC name of N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine (CID 165432113) is N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine is CC#CCN1CCC(Nc2cc(OC)ncn2)CC1.
What is the InChIKey of N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine?
The InChIKey is YXBFDKULPIOVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-4-7-18-8-5-12(6-9-18)17-13-10-14(19-2)16-11-15-13/h10-12H,5-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine?
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 165432113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).