1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine

C16H31N5O2 — CID 162184816

IUPAC1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC(C)(C)N1CCC(=O)NC1=O.CC(C)(C)N1CCCN=C1N
InChIInChI=1S/C8H17N3.C8H14N2O2/c1-8(2,3)11-6-4-5-10-7(11)9;1-8(2,3)10-5-4-6(11)9-7(10)12/h4-6H2,1-3H3,(H2,9,10);4-5H2,1-3H3,(H,9,11,12)
InChIKeyZPNDGVCTJMQVPT-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.53
Rot. Bonds

About 1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine

1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 162184816) has the molecular formula C16H31N5O2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID162184816
Molecular FormulaC16H31N5O2
Molecular Weight325.46 g/mol
Exact Mass325.25
IUPAC Name1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC(C)(C)N1CCC(=O)NC1=O.CC(C)(C)N1CCCN=C1N
InChIInChI=1S/C8H17N3.C8H14N2O2/c1-8(2,3)11-6-4-5-10-7(11)9;1-8(2,3)10-5-4-6(11)9-7(10)12/h4-6H2,1-3H3,(H2,9,10);4-5H2,1-3H3,(H,9,11,12)
InChIKeyZPNDGVCTJMQVPT-UHFFFAOYSA-N
XLogP1.53
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 162184816) is 1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine is CC(C)(C)N1CCC(=O)NC1=O.CC(C)(C)N1CCCN=C1N.
What is the InChIKey of 1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is ZPNDGVCTJMQVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.C8H14N2O2/c1-8(2,3)11-6-4-5-10-7(11)9;1-8(2,3)10-5-4-6(11)9-7(10)12/h4-6H2,1-3H3,(H2,9,10);4-5H2,1-3H3,(H,9,11,12).
What are the key properties of 1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine?
1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 325.46 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,3-diazinane-2,4-dione;1-tert-butyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 162184816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).