N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine

C18H26N6O — CID 75386232

IUPACN-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cnc(N2CCN(C)CC2)nc1
InChIInChI=1S/C18H26N6O/c1-14(2)25-17-16(5-4-6-19-17)20-11-15-12-21-18(22-13-15)24-9-7-23(3)8-10-24/h4-6,12-14,20H,7-11H2,1-3H3
InChIKeyFCMWAEOYJPENAD-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.02
Rot. Bonds6

About N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine

N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine (PubChem CID 75386232) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine
PubChem CID75386232
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cnc(N2CCN(C)CC2)nc1
InChIInChI=1S/C18H26N6O/c1-14(2)25-17-16(5-4-6-19-17)20-11-15-12-21-18(22-13-15)24-9-7-23(3)8-10-24/h4-6,12-14,20H,7-11H2,1-3H3
InChIKeyFCMWAEOYJPENAD-UHFFFAOYSA-N
XLogP2.02
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375775
N-(1,2-oxazol-4-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379672
2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61373876
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 66162966
3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
CID 103243918
N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 102910401
N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 62763918
N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375574

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine (CID 75386232) is N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1ncccc1NCc1cnc(N2CCN(C)CC2)nc1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine?
The InChIKey is FCMWAEOYJPENAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14(2)25-17-16(5-4-6-19-17)20-11-15-12-21-18(22-13-15)24-9-7-23(3)8-10-24/h4-6,12-14,20H,7-11H2,1-3H3.
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine?
N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine has a molecular weight of 342.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 75386232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).