N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C14H25N5 — CID 57403350

IUPACN-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2cc(NCC(C)(C)C)ncn2)CC1
InChIInChI=1S/C14H25N5/c1-14(2,3)10-15-12-9-13(17-11-16-12)19-7-5-18(4)6-8-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)
InChIKeyCYECXDNJIMSMBB-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.69
Rot. Bonds3

About N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 57403350) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID57403350
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2cc(NCC(C)(C)C)ncn2)CC1
InChIInChI=1S/C14H25N5/c1-14(2,3)10-15-12-9-13(17-11-16-12)19-7-5-18(4)6-8-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)
InChIKeyCYECXDNJIMSMBB-UHFFFAOYSA-N
XLogP1.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 57403350) is N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CN1CCN(c2cc(NCC(C)(C)C)ncn2)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is CYECXDNJIMSMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-14(2,3)10-15-12-9-13(17-11-16-12)19-7-5-18(4)6-8-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17).
What are the key properties of N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 57403350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).