1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol

C14H26N6O — CID 80823753

IUPAC1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCCNc1cc(N2CCN(CC(C)(C)O)CC2)nc(N)n1
InChIInChI=1S/C14H26N6O/c1-4-16-11-9-12(18-13(15)17-11)20-7-5-19(6-8-20)10-14(2,3)21/h9,21H,4-8,10H2,1-3H3,(H3,15,16,17,18)
InChIKeyBFRLVMKOKADHSF-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.38
Rot. Bonds5

About 1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol

1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 80823753) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID80823753
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCCNc1cc(N2CCN(CC(C)(C)O)CC2)nc(N)n1
InChIInChI=1S/C14H26N6O/c1-4-16-11-9-12(18-13(15)17-11)20-7-5-19(6-8-20)10-14(2,3)21/h9,21H,4-8,10H2,1-3H3,(H3,15,16,17,18)
InChIKeyBFRLVMKOKADHSF-UHFFFAOYSA-N
XLogP0.38
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80762545
6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 80822823
4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
CID 80847307
N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80940402
2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol
CID 22613293
2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80779556
2-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanol
CID 107226786
4-N-ethyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-2,4-diamine
CID 80816046
1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806613
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
4-N-butyl-6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]pyrimidine-2,4-diamine
CID 166198990
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 91210228

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol (CID 80823753) is 1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol is CCNc1cc(N2CCN(CC(C)(C)O)CC2)nc(N)n1.
What is the InChIKey of 1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is BFRLVMKOKADHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-4-16-11-9-12(18-13(15)17-11)20-7-5-19(6-8-20)10-14(2,3)21/h9,21H,4-8,10H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 294.40 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 80823753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).