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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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).