N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine

C14H25N5O — CID 115975078

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C14H25N5O/c1-11(2)20-13-5-6-15-14(17-13)16-9-12-10-18(3)7-8-19(12)4/h5-6,11-12H,7-10H2,1-4H3,(H,15,16,17)
InChIKeyNJJWPNFJIRWDSM-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.92
Rot. Bonds5

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 115975078) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID115975078
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C14H25N5O/c1-11(2)20-13-5-6-15-14(17-13)16-9-12-10-18(3)7-8-19(12)4/h5-6,11-12H,7-10H2,1-4H3,(H,15,16,17)
InChIKeyNJJWPNFJIRWDSM-UHFFFAOYSA-N
XLogP0.92
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine (CID 115975078) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NCC2CN(C)CCN2C)n1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is NJJWPNFJIRWDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11(2)20-13-5-6-15-14(17-13)16-9-12-10-18(3)7-8-19(12)4/h5-6,11-12H,7-10H2,1-4H3,(H,15,16,17).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 279.39 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 115975078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).