N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine

C16H28N4O — CID 106641351

IUPACN-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(N(CC2CCCCN2)C(C)C)ncn1
InChIInChI=1S/C16H28N4O/c1-12(2)20(10-14-7-5-6-8-17-14)15-9-16(19-11-18-15)21-13(3)4/h9,11-14,17H,5-8,10H2,1-4H3
InChIKeyAUXCEDFHJVQOCI-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.62
Rot. Bonds6

About N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine

N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 106641351) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine
PubChem CID106641351
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(N(CC2CCCCN2)C(C)C)ncn1
InChIInChI=1S/C16H28N4O/c1-12(2)20(10-14-7-5-6-8-17-14)15-9-16(19-11-18-15)21-13(3)4/h9,11-14,17H,5-8,10H2,1-4H3
InChIKeyAUXCEDFHJVQOCI-UHFFFAOYSA-N
XLogP2.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
CID 106641292
N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619278
4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 106641392
6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620572
N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620729
N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine
CID 106641355
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide
CID 106618863
N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 106641515
N'-cyclopentyl-N'-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66332218
N-methyl-N-piperidin-3-yl-6-propan-2-yloxypyrimidin-4-amine
CID 66333032
5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106641533
6-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridine-2-carboxamide
CID 106641492

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine (CID 106641351) is N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine is CC(C)Oc1cc(N(CC2CCCCN2)C(C)C)ncn1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is AUXCEDFHJVQOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)20(10-14-7-5-6-8-17-14)15-9-16(19-11-18-15)21-13(3)4/h9,11-14,17H,5-8,10H2,1-4H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine?
N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 106641351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).