4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine

C19H27N5O — CID 19138340

IUPAC4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
SMILESCCN1CCN(c2ncnc(Oc3ccc(C(C)C)cc3)c2N)CC1
InChIInChI=1S/C19H27N5O/c1-4-23-9-11-24(12-10-23)18-17(20)19(22-13-21-18)25-16-7-5-15(6-8-16)14(2)3/h5-8,13-14H,4,9-12,20H2,1-3H3
InChIKeyYTMFXHQHINVNDQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.12
Rot. Bonds5

About 4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine

4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine (PubChem CID 19138340) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
PubChem CID19138340
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
SMILESCCN1CCN(c2ncnc(Oc3ccc(C(C)C)cc3)c2N)CC1
InChIInChI=1S/C19H27N5O/c1-4-23-9-11-24(12-10-23)18-17(20)19(22-13-21-18)25-16-7-5-15(6-8-16)14(2)3/h5-8,13-14H,4,9-12,20H2,1-3H3
InChIKeyYTMFXHQHINVNDQ-UHFFFAOYSA-N
XLogP3.12
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19138506
2-[4-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140744
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137368
4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138753
4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138635
4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
CID 19138505
2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 22540705
4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine
CID 19137603
4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152632
4-(4-benzylpiperazin-1-yl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-5-amine
CID 19139347
4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19139382
2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19140705

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine (CID 19138340) is 4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine is CCN1CCN(c2ncnc(Oc3ccc(C(C)C)cc3)c2N)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
The InChIKey is YTMFXHQHINVNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-4-23-9-11-24(12-10-23)18-17(20)19(22-13-21-18)25-16-7-5-15(6-8-16)14(2)3/h5-8,13-14H,4,9-12,20H2,1-3H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine has a molecular weight of 341.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19138340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).